0 B12R1.252 CC(=O)OCCC1=CC=CC=C1 LL0321 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)SCCC1=NC=CC=C1 RT10486 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [0,0,0,0,0,0|2,0,1]=3 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|0,0,0]=0 7 B12R1.252 O=C(O)CCCC1=NC=CC=C1 YH65623 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 O=C(O)CCOC1=CC=CC=C1 LT6842 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.252 O=C(O)CNCC1=CC=CC=C1 YH18010 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.252 O=C(O)COCC1=CC=CC=C1 YH53105 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 LQ2010 [0,0,0,0,0,0|0,0,2]=2 12 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.28 ClCCCCC1=CC=NC=C1 YH65475 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.28 OCCCCC1=CC=NC=C1 YH65835 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.28 S=C=NCCC1=CC=CC=C1 HL2155 [1,0,0,0,0,0|1,1,1]=4 35 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 XJ0998 [0,1,0,0,0,0|1,0,1]=3 36 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 XJ2107 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 RT17386 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 RT3513 [0,1,0,0,0,0|1,0,1]=3 39 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 RT15426 [0,1,0,0,0,0|1,0,1]=3 40 B13R1.45 O=C(O)CSC(=O)C1=CC=CC=C1 YH65347 [0,1,0,0,0,0|1,0,1]=3 41 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 YH94168 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.149 O=C(O)CCCC1=CC=CC(S)=C1 RT19807 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.158 O=C(O)CCCC1=CC=CC=C1S RT19806 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 LX2424 [0,1,0,0,0,0|1,0,1]=3 45 B13R1.351 NC(CCC1=CC=CN=C1)C(=O)O HL0623 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O RT5106 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O XJ6799 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 LX2070 [0,1,0,0,0,0|0,0,1]=2 49 B13R1.513 CC(=O)OCCC1=CC=C(O)C=C1 RT6322 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 HL2759 [0,1,0,0,0,0|0,0,0]=1 51 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 XJ4154 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 YH02376 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 HL0053 [0,1,0,0,0,0|0,0,0]=1 54 B13R1.513 O=C(O)CCCC1=CC=C(S)C=C1 RT19808 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 LT2484 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.718 NNC(=O)COCC1=CC=CC=C1 RT1588 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.718 O=C(CCCC1=CC=CC=C1)O[Na] RT10772 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.718 OCC(O)COCC1=CC=CC=C1 JZ2613 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.3523 CC(C)(O)CCCC1=CC=CC=C1 YH66179 [0,1,0,0,0,0|1,0,1]=3 60 B13R2.10 NC1=N[C@H](C2=CC=CC=C2)CO1 RT4321 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 YH65797 [0,0,0,1,0,0|1,0,1]=3 62 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 YH27765 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.10 O=C1CC(C2=CC=CN=C2)CN1 RT10191 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.10 O=C1CCC(C2=CC=CC=C2)O1 HL0603 [0,0,0,1,0,0|0,0,0]=1 65 B13R2.10 O=C1CCC(C2=CC=CN=C2)N1 RT16632 [0,0,0,1,0,0|2,0,0]=3 66 B13R2.10 O=C1NCC(C2=CC=CC=C2)N1 RT9150 [0,0,0,1,0,0|2,0,0]=3 67 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 SY0295 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 RT7870 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 YH42187 [0,0,0,1,0,0|2,1,0]=4 70 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 LT1443 [0,0,0,1,0,0|2,0,1]=4 71 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 XJ5712 [0,0,0,1,0,0|2,0,1]=4 72 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 JZ1093 [0,0,0,1,0,0|1,0,2]=4 73 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 XJ2901 [0,0,0,1,0,0|1,0,2]=4 74 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 LT4082 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 LX2653 [0,0,0,1,0,0|1,0,0]=2 76 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 XJ2660 [0,0,0,1,0,0|1,0,0]=2 77 B13R2.423 O=C(O)[C@H]1O[C@@H]1C2=CC=CC=C2 RT15458 [0,0,0,1,0,0|1,0,0]=2 78 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 LT4165 [0,0,0,1,0,0|2,0,1]=4 79 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 RT12008 [0,0,0,1,0,0|2,0,1]=4 80 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 LT4935 [0,0,0,1,0,0|2,0,1]=4 81 B13R2.3122 CC1(O)CCSC2=C1C=CC=C2 RT10492 [0,0,0,1,0,0|2,0,1]=4 82 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [0,0,0,0,1,0|3,0,0]=4 83 B11R1.91 CC(=O)C#CC1=CC=CC=C1 XJ1968 [0,0,0,0,1,0|1,0,2]=4 84 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [0,0,0,0,1,0|1,0,0]=2 85 B11R1.91 CC(=O)NNC1=CC=CC=C1 HL1438 [0,0,0,0,1,0|3,0,0]=4 86 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [0,0,0,0,1,0|2,0,1]=4 87 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [0,0,0,0,1,0|2,0,1]=4 88 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [0,0,0,0,1,0|2,0,1]=4 89 B11R1.91 N=C(N)SCC1=CC=CC=C1 XJ0890 [0,0,0,0,1,0|3,0,0]=4 90 B11R1.91 NC(=O)COC1=CC=CC=C1 JZ3987 [0,0,0,0,1,0|2,0,0]=3 91 B11R1.91 NC(=O)NNC1=CC=CC=C1 LL0305 [0,0,0,0,1,0|3,0,0]=4 92 B11R1.91 NC(=O)OCC1=CC=CC=C1 JZ3985 [0,0,0,0,1,0|2,0,0]=3 93 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 LT4562 [0,0,0,0,1,0|1,0,2]=4 94 B11R1.91 NC(=S)NCC1=CC=CC=C1 JZ3984 [0,0,0,0,1,0|2,1,0]=4 95 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [0,0,0,0,1,0|1,0,0]=2 96 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 LL0303 [0,0,0,0,1,0|1,0,2]=4 97 B11R1.91 O=C(O)C#CC1=CC=CC=C1 JZ4042 [0,0,0,0,1,0|0,0,2]=3 98 B11R1.91 O=C(O)COC1=CC=CC=N1 YH08506 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.91 O=C(O)COC1=CC=CN=C1 LL1584 [0,0,0,0,1,0|2,0,0]=3 100 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [0,0,0,0,1,0|1,0,0]=2 101 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 LT4563 [0,0,0,0,1,0|0,0,2]=3 102 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 RT12003 [0,0,0,0,1,0|0,0,2]=3 103 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HL0692 [0,0,0,0,1,0|1,0,2]=4 104 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 JZ5354 [0,0,0,0,1,0|1,0,2]=4 105 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 XJ2849 [0,0,0,0,1,0|1,0,2]=4 106 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 LQ3273 [0,0,0,0,1,0|1,0,2]=4 107 B11R1.91 O=C([O-])CNC1=CC=CC=C1 LT5790 [0,0,0,0,1,0|1,0,1]=3 108 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HL0048 [0,0,0,0,1,0|0,0,3]=4 109 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 XJ4235 [0,0,0,0,1,0|0,0,3]=4 110 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 XJ3060 [0,0,0,0,0,1|2,0,0]=3 111 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 LT4564 [0,0,0,0,0,1|1,0,2]=4 112 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 LQ2807 [0,0,0,0,0,1|1,0,0]=2 113 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 HL2170 [0,0,0,0,0,1|0,0,0]=1 114 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 LQ3033 [0,0,0,0,0,1|0,0,0]=1 115 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 RT11907 [0,0,0,0,0,1|0,0,0]=1 116 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 JZ4629 [0,0,0,0,0,1|0,0,3]=4 117 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [2,0,0,0,0,0|0,0,0]=2 120 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [2,0,0,0,0,0|0,0,1]=3 122 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [2,0,0,0,0,0|1,0,1]=4 123 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [2,0,0,0,0,0|1,0,1]=4 124 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [2,0,0,0,0,0|1,0,1]=4 125 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [2,0,0,0,0,0|1,0,1]=4 126 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [2,0,0,0,0,0|1,0,1]=4 127 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [2,0,0,0,0,0|1,0,0]=3 128 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [2,0,0,0,0,0|1,0,1]=4 131 B10R1.17 O=CC#CC1=CC=CC=C1 LQ2262 [2,0,0,0,0,0|0,0,2]=4 132 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [2,0,0,0,0,0|1,0,0]=3 133 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [2,0,0,0,0,0|0,0,2]=4 134 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [2,0,0,0,0,0|0,0,2]=4 135 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [2,0,0,0,0,0|1,0,0]=3 136 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [2,0,0,0,0,0|1,0,0]=3 137 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [2,0,0,0,0,0|1,0,0]=3 138 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [2,0,0,0,0,0|1,0,0]=3 140 B12R1.1 CCCCCC1=CC=C(Br)C=C1 LT0070 [1,1,0,0,0,0|1,0,1]=4 141 B12R1.1 CCCCCC1=CC=C(O)C=C1 JZ4991 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.1 OCCNCC1=CC=C(F)C=C1 LX3035 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.8 BrCCCOCC1=CC=CC=C1 YH06316 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.8 CCCCCCC1=CC=CC=C1 JZ4393 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.8 CCCCOCC1=CC=CC=C1 HL0050 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.8 ClCCCCOC1=CC=CC=C1 JZ2126 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.8 N#CCCNCC1=CC=CC=C1 JZ4132 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.8 O=CCCOCC1=CC=CC=C1 RT12413 [1,1,0,0,0,0|0,0,0]=2 149 B12R1.8 O=COC\C=C\C1=CC=CC=C1 XJ0283 [1,1,0,0,0,0|0,0,2]=4 150 B12R1.8 OCCCOCC1=CC=CC=C1 JZ2614 [1,1,0,0,0,0|0,0,1]=3 151 B12R1.8 S=C=NCCCC1=CC=CC=C1 JZ2090 [1,1,0,0,0,0|0,1,1]=4 152 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 YH10507 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.27 OCC(O)COC1=CC=CC=C1 LT3080 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.30 CNCCC(O)C1=CC=CC=C1 LT3055 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 HL3244 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.32 CN(CCO)CC1=CC=CC=C1 RT11841 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.267 CCCCCC1=C(C)C=CC=C1 YH37584 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 RT12643 [0,1,0,0,1,0|1,0,1]=4 159 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 JZ4325 [0,1,0,0,1,0|1,0,0]=3 160 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 JZ2437 [0,1,0,0,1,0|1,0,0]=3 161 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 YH03782 [0,1,0,0,1,0|1,0,1]=4 162 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 JZ1980 [0,1,0,0,1,0|0,0,0]=2 163 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HL0948 [0,1,0,0,1,0|0,0,0]=2 164 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 RT6283 [0,1,0,0,1,0|0,0,0]=2 165 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 RT16522 [0,1,0,0,1,0|0,0,0]=2 166 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 LT7384 [0,1,0,0,1,0|1,0,0]=3 167 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 LQ1962 [0,1,0,0,1,0|1,0,0]=3 168 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 RT11084 [0,1,0,0,1,0|0,0,2]=4 169 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 XJ1623 [0,1,0,0,1,0|0,0,2]=4 170 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 RT6457 [0,1,0,0,1,0|0,0,2]=4 171 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 LT2333 [0,1,0,0,1,0|0,0,2]=4 172 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 XJ0856 [0,1,0,0,1,0|0,0,2]=4 173 B12R1.21 O=C(O)\C=C\C1=CC=C(S)C=C1 RT13144 [0,1,0,0,1,0|0,0,2]=4 174 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [0,1,0,0,1,0|0,0,1]=3 175 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [0,1,0,0,1,0|0,0,1]=3 176 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O HL0609 [0,1,0,0,1,0|0,0,0]=2 177 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl XJ0460 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O YH66331 [0,1,0,0,1,0|1,0,0]=3 179 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 JZ2645 [0,1,0,0,1,0|1,0,0]=3 180 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 RT6536 [0,1,0,0,1,0|1,0,0]=3 181 B12R1.43 NC(CC1=CC=CC=C1)C(=O)[O-] YH66172 [0,1,0,0,1,0|0,0,1]=3 182 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O JZ1067 [0,1,0,0,1,0|1,0,0]=3 183 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O LT4754 [0,1,0,0,1,0|0,0,0]=2 184 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O JZ1066 [0,1,0,0,1,0|1,0,0]=3 185 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O RT5134 [0,1,0,0,1,0|0,0,2]=4 186 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 YH38554 [0,1,0,0,1,0|0,0,0]=2 187 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 JZ4215 [0,1,0,0,1,0|0,0,0]=2 188 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 YH65812 [0,1,0,0,1,0|0,0,0]=2 189 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 LQ3258 [0,1,0,0,1,0|0,0,0]=2 190 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 LQ0738 [0,1,0,0,1,0|0,0,2]=4 191 B12R1.43 [C@@H](N)(CC1=CC=CN=C1)C(=O)O JZ1068 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.43 [C@@H](N)(CC1=CC=NC=C1)C(=O)O XJ5319 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.43 [C@H](N)(CC1=CC=CN=C1)C(=O)O JZ1594 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O XJ5318 [0,1,0,0,1,0|1,0,0]=3 195 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,1,0,0,1,0|1,0,1]=4 196 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 RT7260 [0,1,0,0,1,0|2,0,0]=4 197 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,1,0,0,1,0|2,0,0]=4 198 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 LT6844 [0,1,0,0,1,0|0,0,0]=2 199 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 JZ4501 [0,1,0,0,1,0|0,0,2]=4 200 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,1,0,0,1,0|1,0,1]=4 201 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 JZ0890 [0,1,0,0,1,0|0,0,0]=2 202 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 RT12059 [0,1,0,0,1,0|0,0,0]=2 203 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 LQ3693 [0,1,0,0,1,0|0,0,0]=2 204 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 LQ2496 [0,1,0,0,1,0|0,0,0]=2 205 B12R1.125 CC(=O)CSC1=CC=CC=C1Cl RT13133 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [0,1,0,0,1,0|0,0,0]=2 207 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [0,1,0,0,1,0|0,0,0]=2 208 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [0,1,0,0,1,0|0,0,0]=2 209 B12R1.125 O=C(O)COC1=CC=CC=C1O LQ3078 [0,1,0,0,1,0|1,0,0]=3 210 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br RT6378 [0,1,0,0,1,0|0,0,2]=4 211 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HL0187 [0,1,0,0,1,0|0,0,2]=4 212 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O XJ1000 [0,1,0,0,1,0|0,0,2]=4 213 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 HL0979 [0,1,0,0,1,0|0,0,0]=2 214 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 JZ3977 [0,1,0,0,1,0|0,0,0]=2 215 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 CJ2730 [0,1,0,0,1,0|0,0,0]=2 216 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 HL1832 [0,1,0,0,1,0|0,0,0]=2 217 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 XJ5126 [0,1,0,0,1,0|0,0,2]=4 218 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 HL1833 [0,1,0,0,1,0|0,0,2]=4 219 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 JZ5420 [0,1,0,0,1,0|0,0,2]=4 220 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 YH35497 [0,1,0,0,1,0|0,0,2]=4 221 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 YH59505 [0,1,0,0,1,0|1,0,1]=4 222 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 LQ2684 [0,1,0,0,1,0|1,0,1]=4 223 B12R1.264 NC(CCC1=CN=CN1)C(=O)O RT5510 [0,1,0,0,1,0|2,0,0]=4 224 B12R1.264 N[C@@H](CCC1=CN=CN1)C(=O)O RT5511 [0,1,0,0,1,0|2,0,0]=4 225 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 LT2883 [0,1,0,0,0,1|0,0,0]=2 226 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 LQ2454 [0,1,0,0,0,1|0,0,1]=3 227 B14R1.420 O=C(O)CONC(=O)C1=CC=CC=C1 RT11600 [0,1,0,0,0,1|1,0,1]=4 228 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 RT16752 [0,1,0,0,0,1|0,0,1]=3 229 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 RT5262 [0,1,0,0,0,1|0,0,1]=3 230 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 LQ2686 [0,1,0,0,0,1|0,0,0]=2 231 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 SY0072 [0,1,0,0,0,1|0,0,0]=2 232 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 YH45184 [0,1,0,0,0,1|0,0,0]=2 233 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 RT3212 [0,1,0,0,0,1|0,0,0]=2 234 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 LQ3403 [0,1,0,0,0,1|1,0,0]=3 235 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O LQ2877 [0,1,0,0,0,1|0,0,0]=2 236 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O LQ2766 [0,1,0,0,0,1|0,0,0]=2 237 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O YH56957 [0,1,0,0,0,1|0,0,0]=2 238 B14R1.6449 O=C(O)C(O)COCC1=CC=CC=C1 YH30732 [0,1,0,0,0,1|0,0,0]=2 239 B14R1.6449 O=C(O)C(O)CSCC1=CC=CC=C1 RT12092 [0,1,0,0,0,1|0,0,0]=2 240 B14R1.6449 [C@@H](N)(CSCC1=CC=CC=C1)C(=O)O YH53209 [0,1,0,0,0,1|0,0,0]=2 241 B14R1.149 O=C(O)CC[PH](=O)C1=CC=CC(O)=C1 LT2598 [0,2,0,0,0,0|1,0,0]=3 242 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(Cl)=C1 RT11793 [0,2,0,0,0,0|1,0,1]=4 243 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O RT11596 [0,2,0,0,0,0|1,0,1]=4 244 B14R1.160 NC(=O)OCC(O)C1=CC=CC=C1Cl RT1850 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.160 NC(=O)OC[C@H](O)C1=CC=CC=C1Cl RT1849 [0,2,0,0,0,0|2,0,0]=4 246 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl RT11782 [0,2,0,0,0,0|1,0,1]=4 247 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1I YH65375 [0,2,0,0,0,0|1,0,1]=4 248 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1O RT11599 [0,2,0,0,0,0|1,0,1]=4 249 B14R1.415 CC(CC(=O)C1=CC=CC=C1)C(=O)O XJ1906 [0,2,0,0,0,0|0,0,1]=3 250 B14R1.415 O=C(C[C@H](O)C(=O)O)C1=CC=CC=C1 RT7186 [0,2,0,0,0,0|0,0,1]=3 251 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 YH38622 [0,2,0,0,0,0|1,0,1]=4 252 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 LQ2700 [0,2,0,0,0,0|0,0,1]=3 253 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 RT1665 [0,2,0,0,0,0|1,0,1]=4 254 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 XJ0008 [0,2,0,0,0,0|1,0,1]=4 255 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 JZ2432 [0,2,0,0,0,0|0,0,1]=3 256 B14R1.154 O=C(O)CCCC1=CC=CC(O)=C1O RT10582 [0,2,0,0,0,0|0,0,0]=2 257 B14R1.687 O=C(O)CCCC1=CC=C(O)C(O)=C1 RT11719 [0,2,0,0,0,0|0,0,0]=2 258 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 YH65406 [0,2,0,0,0,0|0,0,0]=2 259 B14R1.337 N[C@H](CC(=O)O)CC1=C(F)C=CC=C1 HL3921 [0,2,0,0,0,0|0,0,0]=2 260 B14R1.837 COC(=O)CCCC1=CC=CC=C1N RT5155 [0,2,0,0,0,0|0,0,0]=2 261 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O YH30828 [0,2,0,0,0,0|0,0,0]=2 262 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O YH65559 [0,2,0,0,0,0|0,0,0]=2 263 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 YH51101 [0,2,0,0,0,0|0,0,0]=2 264 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 YH65148 [0,2,0,0,0,0|0,0,0]=2 265 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 LQ0615 [0,2,0,0,0,0|2,0,0]=4 266 B14R1.679 [C@H](N)(CCC1=CC=C(O)C=C1)C(=O)O RT5160 [0,2,0,0,0,0|0,0,0]=2 267 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 YH20892 [0,2,0,0,0,0|1,0,0]=3 268 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 YH45209 [0,2,0,0,0,0|0,0,0]=2 269 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 YH95035 [0,2,0,0,0,0|0,0,0]=2 270 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 LL0326 [0,2,0,0,0,0|2,0,0]=4 271 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 LX2794 [0,2,0,0,0,0|2,0,0]=4 272 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 LT5144 [0,2,0,0,0,0|1,0,0]=3 273 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 JZ0159 [0,2,0,0,0,0|1,0,0]=3 274 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 JZ2900 [0,2,0,0,0,0|1,0,0]=3 275 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 RT5039 [0,2,0,0,0,0|1,0,1]=4 276 B14R1.520 C\C(=C\CO)COCC1=CC=CC=C1 RT1266 [0,2,0,0,0,0|2,0,0]=4 277 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HL0594 [1,0,0,1,0,0|1,0,1]=4 278 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [1,0,0,1,0,0|0,0,1]=3 279 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH65152 [1,0,0,1,0,0|2,0,0]=4 280 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH96657 [1,0,0,1,0,0|2,0,0]=4 281 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 YH65558 [1,0,0,1,0,0|1,0,1]=4 282 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 YH07424 [1,0,0,1,0,0|1,0,1]=4 283 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 YH89689 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.2 C1=CN=CC(C2CCC=N2)=C1 RT14595 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.1081 NN1CCCC2=CC=CC=C21 LT5813 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [1,0,0,1,0,0|1,0,1]=4 287 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [1,0,0,1,0,0|1,0,1]=4 288 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [1,0,0,1,0,0|1,0,1]=4 289 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [1,0,0,1,0,0|0,0,0]=2 290 B12R2.1081 O=C1CCCC2=CC=CN=C12 LX2062 [1,0,0,1,0,0|1,0,0]=3 291 B12R2.1081 O=C1CCCC2=CC=NC=C12 YH46803 [1,0,0,1,0,0|1,0,0]=3 292 B12R2.1081 O=C1CCCC2=CN=CC=C12 YH46802 [1,0,0,1,0,0|1,0,0]=3 293 B12R2.1081 O=C1CCCC2=NC=CC=C12 YH05749 [1,0,0,1,0,0|1,0,0]=3 294 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [1,0,0,1,0,0|1,0,0]=3 295 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [1,0,0,1,0,0|1,0,0]=3 296 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [1,0,0,1,0,0|1,0,0]=3 297 B12R2.1081 OC1CCCC2=C1C=CC=N2 YH65731 [1,0,0,1,0,0|1,0,1]=4 298 B12R2.1081 OC1CCCC2=CC=CN=C21 YH35264 [1,0,0,1,0,0|1,0,1]=4 299 B12R2.1081 OC1CCNC2=C1C=CC=C2 YH48820 [1,0,0,1,0,0|1,0,1]=4 300 B12R2.1081 OC1CNCC2=C1C=CC=C2 RT7798 [1,0,0,1,0,0|1,0,1]=4 301 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 LT4982 [1,0,0,1,0,0|1,0,1]=4 302 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 YH05386 [0,0,0,1,1,0|1,0,0]=3 303 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [0,0,0,1,1,0|0,0,2]=4 304 B12R2.24 O=C1CCC2=CC=CN=C2C1 YH18355 [0,0,0,1,1,0|2,0,0]=4 305 B12R2.24 O=C1CCC2=CC=NC=C2C1 YH47858 [0,0,0,1,1,0|2,0,0]=4 306 B12R2.24 O=C1CCC2=NC=CC=C2C1 YH51321 [0,0,0,1,1,0|2,0,0]=4 307 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [0,0,0,1,1,0|1,0,1]=4 308 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 YH34665 [0,0,0,1,1,0|0,0,0]=2 309 B14R2.2 OC(=O)CC1=CNC2=C1C=CC=C2 RT13243 [0,0,0,1,0,1|0,0,2]=4 310 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 HL0442 [0,0,0,1,0,1|1,0,0]=3 311 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 LT1447 [0,0,0,1,0,1|1,0,0]=3 312 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 RT6827 [0,0,0,1,0,1|1,0,0]=3 313 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 YH46889 [0,0,0,1,0,1|1,0,0]=3 314 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 RT6803 [0,0,0,1,0,1|1,0,0]=3 315 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CS1 YH66520 [0,0,0,1,0,1|1,0,0]=3 316 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 YH18392 [0,0,0,1,0,1|1,0,1]=4 317 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 YH20900 [0,0,0,1,0,1|1,0,1]=4 318 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 YH24604 [0,0,0,1,0,1|1,1,0]=4 319 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 YH35521 [0,0,0,1,0,1|1,0,0]=3 320 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 RT12409 [0,0,0,1,0,1|0,0,0]=2 321 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 LT2257 [0,0,0,1,0,1|0,0,0]=2 322 B14R2.31359 O=C(O)[C@@H]1CCCC2=CC=CC=C21 RT7193 [0,0,0,1,0,1|0,0,0]=2 323 B14R2.31359 [C@H]1(C(=O)O)CCCC2=C1C=CC=C2 LX2831 [0,0,0,1,0,1|0,0,0]=2 324 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 XJ2777 [0,1,0,1,0,0|1,0,0]=3 325 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 RT8664 [0,1,0,1,0,0|1,0,1]=4 326 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 CJ2862 [0,1,0,1,0,0|0,0,1]=3 327 B14R2.22 O=C1CCC(C2=C[N+]([O-])=CC=C2)N1 RT9383 [0,1,0,1,0,0|2,0,0]=4 328 B14R2.300 CC(=O)N1CCC2=CC(N)=CC=C21 YH03548 [0,1,0,1,0,0|2,0,0]=4 329 B14R2.256 O=C1CC(C2=CC=CC=C2Cl)CN1 YH65777 [0,1,0,1,0,0|2,0,0]=4 330 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)O1 YH18907 [0,1,0,1,0,0|1,0,1]=4 331 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)S1 YH52338 [0,1,0,1,0,0|1,0,1]=4 332 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 XJ6860 [0,1,0,1,0,0|2,0,0]=4 333 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 LT0757 [0,1,0,1,0,0|0,0,0]=2 334 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 RT9277 [0,1,0,1,0,0|0,0,0]=2 335 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 YH25672 [0,1,0,1,0,0|1,0,0]=3 336 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 RT7779 [0,1,0,1,0,0|1,0,0]=3 337 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 YH15043 [0,1,0,1,0,0|1,0,0]=3 338 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 JZ0893 [0,1,0,1,0,0|1,0,0]=3 339 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2C1 YH90153 [0,1,0,1,0,0|0,0,0]=2 340 B14R2.781 O=C(O)[C@H]1COC2=C(C=CC=C2)O1 YH15042 [0,1,0,1,0,0|1,0,0]=3 341 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 YH38139 [0,1,0,1,0,0|1,0,0]=3 342 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 RT9666 [0,1,0,1,0,0|1,0,0]=3 343 B14R2.598 O=C1NC(=O)C(C2=CC=CC=C2)O1 RT8949 [0,1,0,1,0,0|1,0,1]=4 344 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O XJ2218 [0,1,0,1,0,0|2,0,0]=4 345 B14R2.260 O=C1N[C@H](C2=CC=CN=C2)C[C@H]1O RT17352 [0,1,0,1,0,0|2,0,0]=4 346 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br LT6328 [0,1,0,1,0,0|1,0,0]=3 347 B14R2.20 O=C1CC(C2=CC=C(Cl)C=C2)CN1 YH47580 [0,1,0,1,0,0|2,0,0]=4 348 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 LX2161 [0,1,0,1,0,0|2,0,0]=4 349 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 YH66636 [0,1,0,1,0,0|2,0,0]=4 350 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 YH47335 [0,1,0,1,0,0|1,0,0]=3 351 B14R2.380 O=C1CCNC2=CC=C(Br)C=C2N1 YH57530 [0,1,0,1,0,0|2,0,0]=4 352 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 YH10598 [0,1,0,1,0,0|2,0,0]=4 353 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 LT5812 [0,1,0,1,0,0|2,0,0]=4 354 B14R2.279 NC1C(=O)NCCC2=C1C=CC=C2 YH65765 [0,1,0,1,0,0|2,0,0]=4 355 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 CJ3281 [0,1,0,1,0,0|1,0,0]=3 356 B14R2.4514 CN1C(=O)CCC1C2=CC=CN=C2 RT14837 [0,1,0,1,0,0|2,0,0]=4 357 B14R2.4514 CN1C(=O)CCC1C2=NC=CC=C2 RT14836 [0,1,0,1,0,0|2,0,0]=4 358 B14R2.4514 CN1C(=O)CCC1C2=NC=CC=C2 RT15142 [0,1,0,1,0,0|2,0,0]=4 359 B14R2.4514 CN1C(=O)CC[C@@H]1C2=CC=CN=C2 RT14838 [0,1,0,1,0,0|2,0,0]=4 360 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 RT14835 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [0,0,0,0,2,0|1,0,0]=3 362 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [0,0,0,0,2,0|2,0,0]=4 363 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [0,0,0,0,2,0|2,0,0]=4 364 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [0,0,0,0,2,0|1,0,1]=4 365 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [0,0,0,0,2,0|1,0,0]=3 366 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [0,0,0,0,2,0|2,0,0]=4 367 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [0,0,0,0,2,0|2,0,0]=4 368 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [0,0,0,0,2,0|2,0,0]=4 369 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [0,0,0,0,2,0|1,1,0]=4 370 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [0,0,0,0,2,0|1,0,0]=3 371 B10R1.18 O=C(Cl)OC1=CC=CC=C1 LQ1974 [0,0,0,0,2,0|2,0,0]=4 372 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [0,0,0,0,2,0|0,0,0]=2 373 B10R1.18 O=C(O)CC1=CC=CN=C1 LT2642 [0,0,0,0,2,0|1,0,0]=3 374 B10R1.18 O=C(O)CC1=CC=CN=C1 XJ0855 [0,0,0,0,2,0|1,0,0]=3 375 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [0,0,0,0,2,0|1,0,0]=3 376 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [0,0,0,0,2,0|1,0,0]=3 377 B10R1.18 O=C(O)CC1=CN=CN=C1 YH05329 [0,0,0,0,2,0|2,0,0]=4 378 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [0,0,0,0,2,0|1,0,0]=3 379 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [0,0,0,0,2,0|1,0,0]=3 380 B10R1.66 O=C(O)CCC1=CC=CS1 LQ2957 [0,0,0,0,2,0|1,0,0]=3 381 B10R1.66 O=C(O)CCC1=CNC=N1 YH23866 [0,0,0,0,2,0|2,0,0]=4 382 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 JZ2782 [0,0,0,0,0,2|0,0,0]=2 383 B14R1.422 O=C(O)CCC\C=C\C1=CC=CC=C1 RT6086 [0,0,0,0,0,2|0,0,0]=2