0 B12R1.252 CC(=O)OCCC1=CC=CC=C1 LL0321 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.252 CC(=O)SCCC1=NC=CC=C1 RT10486 [0,0,0,0,0,0|1,1,0]=2 2 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 RT12380 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.252 NC(=S)NCCC1=CC=CC=C1 LQ3182 [0,0,0,0,0,0|2,1,0]=3 6 B12R1.252 O=C(O)CCCC1=CC=CC=C1 RT12403 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.252 O=C(O)CCCC1=NC=CC=C1 YH65623 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.252 O=C(O)CCOC1=CC=CC=C1 LT6842 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.252 O=C(O)CNCC1=CC=CC=C1 YH18010 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.252 O=C(O)COCC1=CC=CC=C1 YH53105 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 LQ2010 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 C(=N/C1=CC=CC=C1)OCC LQ3167 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 CCNCCC1=NC=CC=C1 LT5810 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.28 S=C=NCCC1=CC=CC=C1 HL2155 [1,0,0,0,0,0|1,1,1]=4 24 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 XJ0998 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 XJ2107 [0,1,0,0,0,0|0,0,1]=2 26 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 RT17386 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 YH94168 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.149 O=C(O)CCCC1=CC=CC(S)=C1 RT19807 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.158 O=C(O)CCCC1=CC=CC=C1S RT19806 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 XJ2760 [0,1,0,0,0,0|1,0,2]=4 31 B13R1.351 NC(CCC1=CC=CN=C1)C(=O)O HL0623 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O RT5106 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O XJ6799 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 LX2070 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.513 CC(=O)OCCC1=CC=C(O)C=C1 RT6322 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 HL2759 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 XJ4154 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 YH02376 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 HL0053 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.513 O=C(O)CCCC1=CC=C(S)C=C1 RT19808 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 LT2484 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.718 NNC(=O)COCC1=CC=CC=C1 RT1588 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.718 O=C(CCCC1=CC=CC=C1)O[Na] RT10772 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.3523 CC(C)(O)CCCC1=CC=CC=C1 YH66179 [0,1,0,0,0,0|1,0,2]=4 45 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 JZ4499 [0,0,0,1,0,0|2,0,1]=4 46 B13R2.10 NC1=N[C@H](C2=CC=CC=C2)CO1 RT4321 [0,0,0,1,0,0|2,0,0]=3 47 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 YH65797 [0,0,0,1,0,0|1,0,2]=4 48 B13R2.10 O=C1C=C(C2=CC=CC=C2)NO1 JZ4389 [0,0,0,1,0,0|1,0,2]=4 49 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 YH27765 [0,0,0,1,0,0|1,0,0]=2 50 B13R2.10 O=C1CC(C2=CC=CN=C2)CN1 RT10191 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.10 O=C1CCC(C2=CC=CC=C2)O1 HL0603 [0,0,0,1,0,0|2,0,0]=3 52 B13R2.10 O=C1CCC(C2=CC=CN=C2)N1 RT16632 [0,0,0,1,0,0|3,0,0]=4 53 B13R2.10 O=C1NCC(C2=CC=CC=C2)N1 RT9150 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 SY0295 [0,0,0,1,0,0|1,0,0]=2 55 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 RT7870 [0,0,0,1,0,0|1,0,0]=2 56 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 YH42187 [0,0,0,1,0,0|1,2,0]=4 57 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 JZ4124 [0,0,0,1,0,0|2,0,1]=4 58 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 HL0699 [0,0,0,1,0,0|2,0,1]=4 59 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 YH02056 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 LX2653 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 XJ2660 [0,0,0,1,0,0|2,0,0]=3 62 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 63 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [0,0,0,0,1,0|2,0,0]=3 64 B11R1.91 CC(=O)C#CC1=CC=CC=C1 XJ1968 [0,0,0,0,1,0|0,0,2]=3 65 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [0,0,0,0,1,0|0,0,0]=1 66 B11R1.91 CC(=O)NNC1=CC=CC=C1 HL1438 [0,0,0,0,1,0|2,0,0]=3 67 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [0,0,0,0,1,0|1,0,1]=3 68 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [0,0,0,0,1,0|1,0,2]=4 69 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [0,0,0,0,1,0|1,0,2]=4 70 B11R1.91 CN(C)CCC1=NC=CC=C1 LT3793 [0,0,0,0,1,0|3,0,0]=4 71 B11R1.91 ClP(Cl)OCC1=CC=CC=C1 RT12951 [0,0,0,0,1,0|3,0,0]=4 72 B11R1.91 N=C(N)SCC1=CC=CC=C1 XJ0890 [0,0,0,0,1,0|2,1,0]=4 73 B11R1.91 NC(=O)COC1=CC=CC=C1 JZ3987 [0,0,0,0,1,0|2,0,0]=3 74 B11R1.91 NC(=O)NNC1=CC=CC=C1 LL0305 [0,0,0,0,1,0|3,0,0]=4 75 B11R1.91 NC(=O)OCC1=CC=CC=C1 JZ3985 [0,0,0,0,1,0|1,0,0]=2 76 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 LT4562 [0,0,0,0,1,0|1,0,2]=4 77 B11R1.91 NC(=S)NCC1=CC=CC=C1 JZ3984 [0,0,0,0,1,0|2,1,0]=4 78 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [0,0,0,0,1,0|1,0,0]=2 79 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 LL0303 [0,0,0,0,1,0|1,0,2]=4 80 B11R1.91 O=C(O)C#CC1=CC=CC=C1 JZ4042 [0,0,0,0,1,0|1,0,2]=4 81 B11R1.91 O=C(O)COC1=CC=CC=N1 YH08506 [0,0,0,0,1,0|3,0,0]=4 82 B11R1.91 O=C(O)COC1=CC=CN=C1 LL1584 [0,0,0,0,1,0|3,0,0]=4 83 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [0,0,0,0,1,0|2,0,0]=3 84 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 LT4563 [0,0,0,0,1,0|1,0,2]=4 85 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 RT12003 [0,0,0,0,1,0|1,0,2]=4 86 B11R1.91 O=C([O-])CNC1=CC=CC=C1 LT5790 [0,0,0,0,1,0|2,0,0]=3 87 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HL0048 [0,0,0,0,1,0|1,0,2]=4 88 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 XJ4235 [0,0,0,0,1,0|1,0,2]=4 89 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 XJ3060 [0,0,0,0,0,1|0,0,0]=1 90 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 LT4564 [0,0,0,0,0,1|0,0,1]=2 91 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 LQ2807 [0,0,0,0,0,1|2,0,0]=3 92 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 HL2170 [0,0,0,0,0,1|2,0,0]=3 93 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 LQ3033 [0,0,0,0,0,1|2,0,0]=3 94 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 RT11907 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [2,0,0,0,0,0|0,0,0]=2 96 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [2,0,0,0,0,0|0,0,0]=2 97 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [2,0,0,0,0,0|0,0,1]=3 98 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.17 COCCC1=NC=CC=C1 LT3761 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [2,0,0,0,0,0|1,0,1]=4 110 B10R1.17 O=CC#CC1=CC=CC=C1 LQ2262 [2,0,0,0,0,0|0,0,2]=4 111 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [2,0,0,0,0,0|0,0,2]=4 113 B12R1.1 CCCCCC1=CC=C(Br)C=C1 LT0070 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.1 CCCCCC1=CC=C(O)C=C1 JZ4991 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.8 CCCCCCC1=CC=CC=C1 JZ4393 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.8 CCCCOCC1=CC=CC=C1 HL0050 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.8 O=CCCOCC1=CC=CC=C1 RT12413 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.8 O=COC\C=C\C1=CC=CC=C1 XJ0283 [1,1,0,0,0,0|0,0,1]=3 119 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 YH10507 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.30 CNCCC(O)C1=CC=CC=C1 LT3055 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 HL3244 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.267 CCCCCC1=C(C)C=CC=C1 YH37584 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.21 CC(N)CCC1=CC=C(O)C=C1 RT3075 [0,1,0,0,1,0|1,0,1]=4 124 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 RT12643 [0,1,0,0,1,0|0,0,2]=4 125 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 JZ4325 [0,1,0,0,1,0|2,0,0]=4 126 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 JZ2437 [0,1,0,0,1,0|2,0,0]=4 127 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 YH03782 [0,1,0,0,1,0|0,0,2]=4 128 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 JZ1980 [0,1,0,0,1,0|1,0,0]=3 129 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HL0948 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 RT6283 [0,1,0,0,1,0|1,0,0]=3 131 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 RT16522 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 LT7384 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 LQ1962 [0,1,0,0,1,0|2,0,0]=4 134 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [0,1,0,0,1,0|1,0,1]=4 135 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [0,1,0,0,1,0|1,0,1]=4 136 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O HL0609 [0,1,0,0,1,0|1,0,0]=3 137 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl XJ0460 [0,1,0,0,1,0|2,0,0]=4 138 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O YH66331 [0,1,0,0,1,0|2,0,0]=4 139 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 JZ2645 [0,1,0,0,1,0|1,0,0]=3 140 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 RT6536 [0,1,0,0,1,0|1,0,0]=3 141 B12R1.43 NC(CC1=CC=CC=C1)C(=O)[O-] YH66172 [0,1,0,0,1,0|1,0,0]=3 142 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O JZ1067 [0,1,0,0,1,0|2,0,0]=4 143 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O LT4754 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O JZ1066 [0,1,0,0,1,0|2,0,0]=4 145 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 YH38554 [0,1,0,0,1,0|1,0,0]=3 146 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 JZ4215 [0,1,0,0,1,0|1,0,0]=3 147 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 YH65812 [0,1,0,0,1,0|1,0,0]=3 148 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 LQ3258 [0,1,0,0,1,0|1,0,0]=3 149 B12R1.43 [C@@H](N)(CC1=CC=CN=C1)C(=O)O JZ1068 [0,1,0,0,1,0|2,0,0]=4 150 B12R1.43 [C@@H](N)(CC1=CC=NC=C1)C(=O)O XJ5319 [0,1,0,0,1,0|2,0,0]=4 151 B12R1.43 [C@H](N)(CC1=CC=CN=C1)C(=O)O JZ1594 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O XJ5318 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,1,0,0,1,0|0,0,1]=3 154 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 RT7260 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,1,0,0,1,0|0,0,0]=2 156 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 CJ3357 [0,1,0,0,1,0|0,0,2]=4 157 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 LT6844 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,1,0,0,1,0|1,0,1]=4 159 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 JZ0890 [0,1,0,0,1,0|1,0,0]=3 160 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 RT12059 [0,1,0,0,1,0|1,0,0]=3 161 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 LQ3693 [0,1,0,0,1,0|1,0,0]=3 162 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 LQ2496 [0,1,0,0,1,0|1,0,0]=3 163 B12R1.125 CC(=O)CSC1=CC=CC=C1Cl RT13133 [0,1,0,0,1,0|1,0,0]=3 164 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [0,1,0,0,1,0|1,0,0]=3 167 B12R1.125 O=C(O)COC1=CC=CC=C1O LQ3078 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.226 CC(=O)\C=C\C1=CC=CC(O)=C1 RT12436 [0,1,0,0,1,0|0,0,2]=4 169 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 HL0979 [0,1,0,0,1,0|1,0,0]=3 170 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 JZ3977 [0,1,0,0,1,0|1,0,0]=3 171 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 CJ2730 [0,1,0,0,1,0|1,0,0]=3 172 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 HL1832 [0,1,0,0,1,0|1,0,0]=3 173 B12R1.891 CS(=O)(=S)OCC1=CC=CC=C1 RT12102 [0,1,0,0,1,0|1,0,0]=3 174 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 YH59505 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.130 CC(=O)OCCC1=C(C)N=CS1 JZ1140 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.890 CS(=O)(=O)OCCC1=CC=CS1 RT15648 [0,1,0,0,1,0|2,0,0]=4 177 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 LT2883 [0,1,0,0,0,1|2,0,0]=4 178 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 LQ2686 [0,1,0,0,0,1|2,0,0]=4 179 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 SY0072 [0,1,0,0,0,1|2,0,0]=4 180 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 YH45184 [0,1,0,0,0,1|1,0,0]=3 181 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 RT3212 [0,1,0,0,0,1|1,0,0]=3 182 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 LQ3403 [0,1,0,0,0,1|0,0,0]=2 183 B14R1.6449 CC(C)C(=O)OCCC1=CC=CC=C1 LL0324 [0,1,0,0,0,1|1,0,1]=4 184 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O LQ2877 [0,1,0,0,0,1|2,0,0]=4 185 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O LQ2766 [0,1,0,0,0,1|2,0,0]=4 186 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O YH56957 [0,1,0,0,0,1|2,0,0]=4 187 B14R1.6449 O=C(O)C(O)COCC1=CC=CC=C1 YH30732 [0,1,0,0,0,1|2,0,0]=4 188 B14R1.6449 O=C(O)C(O)CSCC1=CC=CC=C1 RT12092 [0,1,0,0,0,1|2,0,0]=4 189 B14R1.6449 [C@@H](N)(CSCC1=CC=CC=C1)C(=O)O YH53209 [0,1,0,0,0,1|2,0,0]=4 190 B14R1.160 CC(=O)ONC(=O)C1=CC=CC=C1O RT10678 [0,2,0,0,0,0|1,0,1]=4 191 B14R1.160 CC(=O)O\N=C(/C)C1=CC=CC=C1O RT6304 [0,2,0,0,0,0|1,0,1]=4 192 B14R1.160 NC(=O)OCC(O)C1=CC=CC=C1Cl RT1850 [0,2,0,0,0,0|1,0,0]=3 193 B14R1.160 NC(=O)OC[C@H](O)C1=CC=CC=C1Cl RT1849 [0,2,0,0,0,0|1,0,0]=3 194 B14R1.154 O=C(O)CCCC1=CC=CC(O)=C1O RT10582 [0,2,0,0,0,0|2,0,0]=4 195 B14R1.687 O=C(O)CCCC1=CC=C(O)C(O)=C1 RT11719 [0,2,0,0,0,0|2,0,0]=4 196 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 YH65406 [0,2,0,0,0,0|2,0,0]=4 197 B14R1.337 N[C@H](CC(=O)O)CC1=C(F)C=CC=C1 HL3921 [0,2,0,0,0,0|2,0,0]=4 198 B14R1.837 COC(=O)CCCC1=CC=CC=C1N RT5155 [0,2,0,0,0,0|1,0,0]=3 199 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O YH30828 [0,2,0,0,0,0|2,0,0]=4 200 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O YH65559 [0,2,0,0,0,0|2,0,0]=4 201 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 YH51101 [0,2,0,0,0,0|2,0,0]=4 202 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 YH65148 [0,2,0,0,0,0|1,0,0]=3 203 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 LQ0615 [0,2,0,0,0,0|0,0,0]=2 204 B14R1.679 [C@H](N)(CCC1=CC=C(O)C=C1)C(=O)O RT5160 [0,2,0,0,0,0|2,0,0]=4 205 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 YH45209 [0,2,0,0,0,0|1,0,0]=3 206 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 YH95035 [0,2,0,0,0,0|1,0,0]=3 207 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 LL0326 [0,2,0,0,0,0|0,0,0]=2 208 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 LT5144 [0,2,0,0,0,0|2,0,0]=4 209 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 JZ0159 [0,2,0,0,0,0|2,0,0]=4 210 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 JZ2900 [0,2,0,0,0,0|2,0,0]=4 211 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH65152 [1,0,0,1,0,0|1,0,1]=4 212 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH96657 [1,0,0,1,0,0|1,0,1]=4 213 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 YH89689 [1,0,0,1,0,0|1,0,1]=4 214 B12R2.41 C1=CC=C2CCNCCC2=C1 XJ2659 [1,0,0,1,0,0|1,0,1]=4 215 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [1,0,0,1,0,0|1,0,1]=4 216 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [1,0,0,1,0,0|1,0,0]=3 217 B12R2.1081 O=C1CCCC2=CC=CN=C12 LX2062 [1,0,0,1,0,0|2,0,0]=4 218 B12R2.1081 O=C1CCCC2=CC=NC=C12 YH46803 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.1081 O=C1CCCC2=CN=CC=C12 YH46802 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.1081 O=C1CCCC2=NC=CC=C12 YH05749 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [1,0,0,1,0,0|2,0,0]=4 222 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [1,0,0,1,0,0|1,0,0]=3 223 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [1,0,0,1,0,0|0,0,0]=2 224 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 YH05386 [0,0,0,1,1,0|0,0,0]=2 225 B12R2.24 CC1CCC2=CC=CC=C2N1 XJ1928 [0,0,0,1,1,0|1,0,1]=4 226 B12R2.24 NC1CCC2=C(C=CC=C2)C1 YH65482 [0,0,0,1,1,0|1,0,1]=4 227 B12R2.24 NC1CCC2=CC=CC=C2C1 JZ2198 [0,0,0,1,1,0|1,0,1]=4 228 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 JZ5475 [0,0,0,1,1,0|1,0,1]=4 229 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 LQ4317 [0,0,0,1,1,0|1,0,1]=4 230 B12R2.24 O=C1CCC2=CC=CN=C2C1 YH18355 [0,0,0,1,1,0|1,0,0]=3 231 B12R2.24 O=C1CCC2=CC=NC=C2C1 YH47858 [0,0,0,1,1,0|1,0,0]=3 232 B12R2.24 O=C1CCC2=NC=CC=C2C1 YH51321 [0,0,0,1,1,0|1,0,0]=3 233 B12R2.92 CC1(C)CC1C2=CC=CC=C2 LQ3308 [0,0,0,1,1,0|1,0,1]=4 234 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 YH34665 [0,0,0,1,1,0|1,0,0]=3 235 B12R2.6 O=C1CC(C2=CC=CS2)CN1 LX2160 [0,0,0,1,1,0|2,0,0]=4 236 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 XJ1058 [0,0,0,1,0,1|0,0,2]=4 237 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 HL0442 [0,0,0,1,0,1|1,0,0]=3 238 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 LT1447 [0,0,0,1,0,1|2,0,0]=4 239 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 RT6827 [0,0,0,1,0,1|1,0,0]=3 240 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 YH46889 [0,0,0,1,0,1|1,1,0]=4 241 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 RT6803 [0,0,0,1,0,1|1,0,0]=3 242 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CS1 YH66520 [0,0,0,1,0,1|1,1,0]=4 243 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 YH35521 [0,0,0,1,0,1|1,0,0]=3 244 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 RT12409 [0,0,0,1,0,1|2,0,0]=4 245 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 LT2257 [0,0,0,1,0,1|2,0,0]=4 246 B14R2.31359 O=C(O)[C@@H]1CCCC2=CC=CC=C21 RT7193 [0,0,0,1,0,1|2,0,0]=4 247 B14R2.31359 [C@H]1(C(=O)O)CCCC2=C1C=CC=C2 LX2831 [0,0,0,1,0,1|2,0,0]=4 248 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 XJ2777 [0,1,0,1,0,0|1,0,0]=3 249 B14R2.300 CC(=O)N1CCC2=CC(N)=CC=C21 YH03548 [0,1,0,1,0,0|1,0,0]=3 250 B14R2.256 O=C1CC(C2=CC=CC=C2Cl)CN1 YH65777 [0,1,0,1,0,0|1,0,0]=3 251 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 LT0757 [0,1,0,1,0,0|2,0,0]=4 252 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 RT9277 [0,1,0,1,0,0|2,0,0]=4 253 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2C1 YH90153 [0,1,0,1,0,0|2,0,0]=4 254 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 YH38139 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 RT9666 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br LT6328 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.20 O=C1CC(C2=CC=C(Cl)C=C2)CN1 YH47580 [0,1,0,1,0,0|1,0,0]=3 258 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 LX2161 [0,1,0,1,0,0|1,0,0]=3 259 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 YH66636 [0,1,0,1,0,0|1,0,0]=3 260 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 YH47335 [0,1,0,1,0,0|2,0,0]=4 261 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 YH10598 [0,1,0,1,0,0|1,0,0]=3 262 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 LT5812 [0,1,0,1,0,0|1,0,0]=3 263 B14R2.279 NC1C(=O)NCCC2=C1C=CC=C2 YH65765 [0,1,0,1,0,0|1,0,0]=3 264 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 CJ3281 [0,1,0,1,0,0|2,0,0]=4 265 B14R2.4514 CN1C(=O)CCC1C2=CC=CN=C2 RT14837 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.4514 CN1C(=O)CCC1C2=NC=CC=C2 RT14836 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.4514 CN1C(=O)CCC1C2=NC=CC=C2 RT15142 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.4514 CN1C(=O)CC[C@@H]1C2=CC=CN=C2 RT14838 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 RT14835 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [0,0,0,0,2,0|0,0,0]=2 271 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [0,0,0,0,2,0|1,0,0]=3 272 B10R1.18 CC(=O)NC1=NC=CC=C1 LQ2855 [0,0,0,0,2,0|2,0,0]=4 273 B10R1.18 CC(=O)OC1=NC=CC=C1 RT9785 [0,0,0,0,2,0|1,0,0]=3 274 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [0,0,0,0,2,0|1,1,0]=4 275 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [0,0,0,0,2,0|2,0,0]=4 276 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [0,0,0,0,2,0|1,0,0]=3 277 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [0,0,0,0,2,0|1,0,1]=4 278 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [0,0,0,0,2,0|0,0,2]=4 279 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [0,0,0,0,2,0|1,0,0]=3 280 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [0,0,0,0,2,0|2,0,0]=4 281 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [0,0,0,0,2,0|2,0,0]=4 282 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [0,0,0,0,2,0|1,0,0]=3 283 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [0,0,0,0,2,0|1,1,0]=4 284 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [0,0,0,0,2,0|1,0,0]=3 285 B10R1.18 O=C(Cl)OC1=CC=CC=C1 LQ1974 [0,0,0,0,2,0|1,0,0]=3 286 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [0,0,0,0,2,0|1,0,0]=3 287 B10R1.18 O=C(O)CC1=CC=CN=C1 LT2642 [0,0,0,0,2,0|2,0,0]=4 288 B10R1.18 O=C(O)CC1=CC=CN=C1 XJ0855 [0,0,0,0,2,0|2,0,0]=4 289 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [0,0,0,0,2,0|2,0,0]=4 290 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [0,0,0,0,2,0|2,0,0]=4 291 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [0,0,0,0,2,0|2,0,0]=4 292 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [0,0,0,0,2,0|2,0,0]=4 293 B10R1.18 S=C(Cl)OC1=CC=CC=C1 HL0590 [0,0,0,0,2,0|1,1,0]=4 294 B10R1.66 CC(=O)OCC1=CC=CO1 LT5083 [0,0,0,0,2,0|1,0,0]=3 295 B10R1.66 CC(=O)SCC1=CC=CO1 LT5373 [0,0,0,0,2,0|1,1,0]=4 296 B10R1.66 O=C(O)CCC1=CC=CS1 LQ2957 [0,0,0,0,2,0|2,0,0]=4 297 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 JZ2782 [0,0,0,0,0,2|2,0,0]=4 298 B14R1.422 O=C(O)CCC\C=C\C1=CC=CC=C1 RT6086 [0,0,0,0,0,2|2,0,0]=4