0 B13R1.348 CC(C)NC(=O)OC1=CC=CC=C1 RT11043 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 XJ2760 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.348 CC(C)OC(=O)NC1=CC=CC=C1 XJ0463 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.348 CC(Cl)OC(=O)OC1=CC=CC=C1 RT11086 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.32 CCOC(=O)CC1=CC=NC=C1 RT14075 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.32 CCOC(=O)CC1=NC=CC=C1 XJ2291 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.32 CCOC(=O)NC1=CC=CC=C1 LQ0343 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.252 CC(=O)OCCC1=CC=CC=C1 LL0321 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 LL1722 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 YH58393 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 YH12656 [0,1,0,0,0,0|1,0,0]=2 14 B14R1.5978 CC(C)OC(=O)NC1=CC(Cl)=CC=C1 LQ0311 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 JZ1904 [0,0,0,0,1,0|1,0,2]=4 16 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 LQ0318 [0,0,0,0,1,0|2,0,0]=3 17 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,0,0,0,1,0|2,0,1]=4 18 B11R0.4 C=C\C=C\C=C\CC(=O)OCC RT17411 [1,0,1,0,0,0|0,0,0]=2 19 B11R1.28 C(=N/C1=CC=CC=C1)OCC LQ3167 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [2,0,0,0,0,0|1,0,0]=3 27 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 JZ4838 [1,1,0,0,0,0|0,0,0]=2 28 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 YH02840 [1,1,0,0,0,0|0,0,0]=2 29 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 XJ4339 [1,1,0,0,0,0|0,0,0]=2 30 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 YH66166 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 YH66167 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=C1 YH34031 [1,1,0,0,0,0|0,0,0]=2 33 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=C1 YH34030 [1,1,0,0,0,0|0,0,0]=2 34 B13R1.20 CCOC(=O)CC1=CC=CC(O)=C1 RT6158 [1,1,0,0,0,0|0,0,0]=2 35 B13R1.47 CCOC(=O)C(Br)C1=CC=CC=C1 LQ2328 [1,1,0,0,0,0|0,0,0]=2 36 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 JZ2491 [1,1,0,0,0,0|0,0,0]=2 37 B13R1.470 CCOC(=O)CC1=CC=CC=C1O RT11045 [1,1,0,0,0,0|0,0,0]=2 38 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 LL0311 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.513 CC(C)CNCC1=CC=C(Br)C=C1 YH66438 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.3523 CC(C)(O)CCCC1=CC=CC=C1 YH66179 [1,1,0,0,0,0|1,0,1]=4 41 B13R1.148 CC(C)C(=O)NC1=CC=CC(N)=C1 LL2601 [0,1,0,0,1,0|1,0,0]=3 42 B13R1.353 CC(C)(C)C(=O)NC1=CC=CC=C1 RT11009 [0,1,0,0,1,0|1,0,0]=3 43 B13R1.11 CCC(C)NC(=O)C1=NC=CC=C1 CJ3374 [0,1,0,0,1,0|2,0,0]=4 44 B13R1.201 CC(C)CC(=O)C1=CC=CC=C1Br CJ2837 [0,1,0,0,1,0|1,0,0]=3 45 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O JZ3931 [0,1,0,0,1,0|0,0,0]=2 46 B13R1.347 CC(C)OS(=O)(=O)C1=CC=CC=C1 RT12175 [0,1,0,0,1,0|1,0,0]=3 47 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 LL2012 [0,1,0,0,0,1|2,0,0]=4 48 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CN=C1 HL3109 [0,1,0,0,0,1|1,0,0]=3 49 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 JZ1645 [0,1,0,0,0,1|1,0,0]=3 50 B15R1.5802 CC1=CC=CC=C1NC(=O)OC(C)(C)C RT3228 [0,2,0,0,0,0|1,0,0]=3 51 B15R1.880 CC(C)OC(=O)C(Br)C1=CC=C(Cl)C=C1 LL1800 [0,2,0,0,0,0|0,0,0]=2 52 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(Br)=NC=C1 YH01498 [0,2,0,0,0,0|2,0,0]=4 53 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(F)=CC=C1 YH19986 [0,2,0,0,0,0|1,0,0]=3 54 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(N)=CC=C1 YH13915 [0,2,0,0,0,0|1,0,0]=3 55 B15R1.8303 CC(C)(C)OC(=O)NC1=CC=CC(I)=C1 RT10907 [0,2,0,0,0,0|1,0,0]=3 56 B15R1.8303 CC(C)(C)OC(=O)NC1=NC(Br)=CC=C1 YH55758 [0,2,0,0,0,0|2,0,0]=4 57 B15R1.204 CC(C)OC(=O)OC1=CC=C(CO)C=C1 RT10916 [0,2,0,0,0,0|1,0,0]=3 58 B13R2.15 O=C1CCCN1C2=CC=CC=C2 LQ2710 [1,0,0,1,0,0|2,0,0]=4 59 B13R2.15 O=C1NCCN1C2=CC=CC=C2 YH42112 [1,0,0,1,0,0|2,0,0]=4 60 B13R2.15 O=C1OCCN1C2=CC=CC=C2 JZ4122 [1,0,0,1,0,0|1,0,0]=3 61 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 YH09263 [1,0,0,1,0,0|2,0,0]=4 62 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 XJ2660 [1,0,0,1,0,0|2,0,0]=4 63 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 YH43087 [0,0,0,1,1,0|1,0,0]=3 64 B13R2.359 CC1=NC2=CC=CC=C2C1(C)C HL0938 [0,0,0,1,1,0|2,0,0]=4 65 B15R2.325 O=C1CC(CC2=CC=CC=C2)C(=O)O1 YH43541 [0,0,0,1,0,1|1,0,1]=4 66 B15R2.325 O=C1C[C@H](O)CN1CC2=CC=CC=C2 YH43072 [0,0,0,1,0,1|2,0,0]=4 67 B15R2.13973 CC1(C)OC(=O)NC2=CC=C(Br)C=C21 LT3586 [0,1,0,1,0,0|1,0,0]=3 68 B15R2.323 CC1CC(=O)N(C2=CC=CC=C2)N1C LL0064 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [1,0,0,0,1,0|1,0,0]=3 70 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [1,0,0,0,1,0|0,0,0]=2 71 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [1,0,0,0,1,0|0,0,0]=2 72 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [1,0,0,0,1,0|1,0,0]=3 73 B11R1.16 CCOC(=O)C1=CC=NN=C1 YH58768 [1,0,0,0,1,0|2,0,0]=4 74 B11R1.16 CCOC(=O)C1=CCC=CC1 RT16430 [1,0,0,0,1,0|0,0,2]=4 75 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [1,0,0,0,1,0|1,0,0]=3 76 B11R1.16 CCOC(=O)C1=NC=NC=C1 XJ5992 [1,0,0,0,1,0|2,0,0]=4 77 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [1,0,0,0,1,0|2,0,0]=4 78 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [1,0,0,0,1,0|2,0,0]=4 79 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [1,0,0,0,1,0|2,0,0]=4 80 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [1,0,0,0,1,0|1,0,1]=4 81 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [0,0,0,0,2,0|1,0,1]=4 82 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 LQ2063 [0,0,0,0,2,0|1,0,0]=3 83 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 XJ1123 [0,0,0,0,2,0|0,0,0]=2 84 B11R1.36 CC(C)C(O)C1=CC=CC=C1 XJ1122 [0,0,0,0,2,0|0,0,2]=4 85 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 RT10540 [0,0,0,0,2,0|1,0,0]=3 86 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl JZ2121 [0,0,0,0,2,0|2,0,0]=4 87 B11R1.36 O=C(C1=CC=CC=C1)C(F)F HL1767 [0,0,0,0,2,0|2,0,0]=4 88 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [0,0,0,0,2,0|2,0,0]=4 89 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 RT6473 [1,0,0,0,0,1|0,0,2]=4 90 B13R1.42 CC#CC(=O)CCC1=CC=CC=C1 RT6038 [1,0,0,0,0,1|1,0,1]=4 91 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 LL0317 [1,0,0,0,0,1|1,0,0]=3 92 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 LT5401 [1,0,0,0,0,1|0,0,0]=2 93 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 RT1472 [1,0,0,0,0,1|0,0,0]=2 94 B13R1.42 CCOC(=O)\C=C/C1=CC=CC=C1 RT6272 [1,0,0,0,0,1|0,0,1]=3 95 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 RT18103 [1,0,0,0,0,1|1,0,1]=4 96 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 RT7838 [1,0,0,0,0,1|1,0,1]=4 97 B13R1.42 O=C(CCBr)NCC1=CC=CC=C1 YH38780 [1,0,0,0,0,1|2,0,0]=4 98 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 RT10908 [1,0,0,0,0,1|2,0,0]=4 99 B15R1.5919 CC(C)COC(=O)\C=C\C1=CC=CC=C1 XJ0474 [0,0,0,0,0,2|0,0,1]=3