0 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 4H48-1-UZ [0,0,0,0,0,0|1,0,0]=1 1 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O 4657-1-60 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 2623-1-3B [0,0,0,0,0,0|1,0,0]=1 3 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 2723-1-24 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 4648-5-2B [1,0,0,0,0,0|2,0,1]=4 5 B13R1.42 O=C(CCCl)OCC1=CC=CC=C1 2623-5-0X [1,0,0,0,0,0|1,0,1]=3 6 B13R1.42 O=C(CCF)OCC1=CC=CC=C1 2623-3-2K [1,0,0,0,0,0|1,0,1]=3 7 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 2629-1-3E [1,0,0,0,0,0|0,0,2]=3 8 B13R1.337 CC(=O)\C=C\C=C\C1=CC=CC=C1 2917-1-34 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.337 CC(C)CCOCC1=CC=CC=C1 2607-1-1U [1,0,0,0,0,0|1,0,2]=4 10 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 2721-1-70 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 2721-1-04 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 4747-1-01 [1,0,0,0,0,0|2,0,1]=4 13 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 4656-1-8U [0,1,0,0,0,0|1,0,2]=4 14 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 4158-1-S3 [0,1,0,0,0,0|1,0,2]=4 15 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCC1=CC=CC=C1 4658-5-0H [0,1,0,0,0,0|0,0,2]=3 16 B15R2.27 O=C1C=C(Cl)CC(C2=CC=CC=C2)C1 2617-5-32 [0,0,0,1,0,0|2,0,1]=4 17 B15R2.27 O=C1C=C(O)CC(C2=CC=CC=C2)C1 2620-1-0A [0,0,0,1,0,0|1,0,2]=4 18 B15R2.27 O=C1CC(=O)NC(C2=CC=CC=C2)C1 4H48-1-04H [0,0,0,1,0,0|1,0,0]=2 19 B15R2.27 O=C1CC(C2=CC=CC=C2)CC(=O)O1 2H26-1-31 [0,0,0,1,0,0|2,0,0]=3 20 B15R2.325 CC1=NN(CC2=CC=CC=C2)C(=O)C1 4H48-1-062 [0,0,0,1,0,0|2,0,0]=3 21 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 4H30-1-32 [0,0,0,1,0,0|2,0,1]=4 22 B15R2.325 O=C1CN(CC2=CC=CC=C2)C(=O)N1 4648-1-2E [0,0,0,1,0,0|2,0,0]=3 23 B15R2.325 O=C1NC(=O)C(CC2=CC=CC=C2)N1 4H48-1-F9 [0,0,0,1,0,0|3,0,0]=4 24 B15R2.325 O=C1NC(CC2=CC=CC=C2)C(=O)O1 4H56-1-06T [0,0,0,1,0,0|3,0,0]=4 25 B15R2.24494 O=C(CC1CC1)OCC2=CC=CC=C2 2623-1-4F [0,0,0,1,0,0|1,0,1]=3 26 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 4H48-1-035 [0,0,0,0,1,0|1,0,0]=2 27 B13R1.348 CC(=O)OC(C)CC1=CC=CC=C1 2623-1-4U [0,0,0,0,1,0|2,0,1]=4 28 B13R1.348 CC(C)NC(=O)OC1=CC=CC=C1 4656-1-G3 [0,0,0,0,1,0|2,0,1]=4 29 B13R1.348 C\C(=C/C1=CC=CC=C1)CC(N)=O 4648-1-5Y [0,0,0,0,1,0|2,0,1]=4 30 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 4632-1-0B [0,0,0,0,1,0|2,0,1]=4 31 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 4656-1-9N [0,0,0,0,1,0|2,0,0]=3 32 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 4658-5-S4 [0,0,0,0,1,0|1,0,1]=3 33 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 2629-1-S4 [0,0,0,0,1,0|0,0,2]=3 34 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 2929-1-28 [0,0,0,0,1,0|2,0,1]=4 35 B13R1.351 O=C(OCC1=CC=CC=C1)C(F)Cl 2623-7-01 [0,0,0,0,1,0|2,0,1]=4 36 B15R1.5919 NC(=O)CNC(=O)OCC1=CC=CC=C1 4658-1-W1 [0,0,0,0,0,1|1,0,0]=2 37 B15R1.5919 NC(=S)CNC(=O)OCC1=CC=CC=C1 8669-1-0B [0,0,0,0,0,1|1,1,0]=3 38 B15R1.5919 O=C(O)CCC(=O)OCC1=CC=CC=C1 2723-1-40 [0,0,0,0,0,1|1,0,0]=2 39 B15R1.9084 CC(COCC1=CC=CC=C1)CC(=O)O 2721-1-82 [0,0,0,0,0,1|2,0,1]=4 40 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 2923-1-28 [2,0,0,0,0,0|0,0,2]=4 41 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 4948-1-00 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 2624-1-02 [2,0,0,0,0,0|0,0,1]=3 43 B12R1.27 NCC(=O)OCC1=CC=CC=C1 4658-1-6S [2,0,0,0,0,0|1,0,0]=3 44 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 2617-9-0P [2,0,0,0,0,0|2,0,0]=4 45 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 2623-9-X0 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 2623-5-0V [2,0,0,0,0,0|1,0,0]=3 47 B12R1.27 O=C(CO)OCC1=CC=CC=C1 2629-1-2N [2,0,0,0,0,0|0,0,1]=3 48 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 4656-1-9D [1,1,0,0,0,0|1,0,1]=4 49 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 2623-9-40 [1,1,0,0,0,0|0,0,1]=3 50 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 4656-1-7P [1,1,0,0,0,0|0,0,2]=4 51 B14R1.502 CCCC(=O)CCC1=CC=C(F)C=C1 2717-3-20 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 2623-1-0P [1,1,0,0,0,0|0,0,1]=3 53 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 4657-1-SM [1,1,0,0,0,0|1,0,1]=4 54 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O 4157-1-RM [1,1,0,0,0,0|1,0,1]=4 55 B14R1.425 CC(=O)C(Cl)C(=O)NC1=CC=CC=C1 4648-5-1L [0,1,0,0,1,0|1,0,0]=3 56 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Cl)C=C1 4648-5-0E [0,1,0,0,1,0|1,0,0]=3 57 B14R1.698 CC1=CC=C(OC(=O)CC(C)C)C=C1 2723-1-1R [0,1,0,0,1,0|1,0,1]=4 58 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 2629-1-2V [0,1,0,0,1,0|0,0,0]=2 59 B14R1.5978 CC(=O)CC(=O)NC1=CC=CC(Br)=C1 4648-9-58 [0,1,0,0,1,0|1,0,0]=3 60 B14R1.5978 CC(=O)CC(=O)NC1=CC=CC(Cl)=C1 4648-5-26 [0,1,0,0,1,0|1,0,0]=3 61 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 2629-1-3M [0,1,0,0,1,0|0,0,2]=4 62 B16R1.1343 COC(=O)CNC(=O)OCC1=CC=CC=C1 4658-1-6B [0,1,0,0,0,1|0,0,0]=2 63 B16R1.4122 CC(NC(=O)OCC1=CC=CC=C1)C(=O)O 4658-1-0H [0,1,0,0,0,1|1,0,0]=3 64 B16R1.4122 C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)O 4756-1-X9 [0,1,0,0,0,1|1,0,0]=3 65 B16R1.22556 CC(C)(C)NCC(=O)OCC1=CC=CC=C1 4658-1-51 [0,1,0,0,0,1|1,0,1]=4 66 B16R1.202 COC1=CC=C(CNC(=O)CC(C)=O)C=C1 4648-1-78 [0,2,0,0,0,0|1,0,0]=3 67 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 2617-1-1C [1,0,0,1,0,0|1,0,1]=4 68 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 4H48-1-MH [1,0,0,1,0,0|1,0,1]=4 69 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 4H48-1-WS [1,0,0,1,0,0|1,0,1]=4 70 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 2617-1-06 [1,0,0,1,0,0|1,0,1]=4 71 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 2H26-1-0E [1,0,0,1,0,0|2,0,0]=4 72 B14R2.598 O=C1NC(=O)C(C2=CC=CC=C2)N1 4648-1-2D [1,0,0,1,0,0|2,0,0]=4 73 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 2H21-1-0Z [0,0,0,1,1,0|2,0,0]=4 74 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2O1 4H21-1-H0 [0,0,0,1,1,0|2,0,0]=4 75 B14R2.249 O=C1CC(=O)CC(C2=CC=CO2)C1 2H18-1-04 [0,0,0,1,1,0|2,0,0]=4 76 B14R2.249 O=C1CC(=O)CC(C2=CSC=C2)C1 6H66-1-71 [0,0,0,1,1,0|2,0,0]=4 77 B16R2.132 O=C1CCC(OCC2=CC=CC=C2)CC1 2617-1-44 [0,0,0,1,0,1|1,0,1]=4 78 B16R2.3322 NC1CN(C(=O)OCC2=CC=CC=C2)C1 4H56-1-MM [0,0,0,1,0,1|1,0,1]=4 79 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(Br)C2 4H48-9-94 [0,0,0,1,0,1|1,0,1]=4 80 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(I)C2 4H51-H-06 [0,0,0,1,0,1|1,0,1]=4 81 B16R2.3322 O=C1CC(C(=O)OCC2=CC=CC=C2)C1 2629-1-83 [0,0,0,1,0,1|0,0,0]=2 82 B16R2.2904 CC1=NN(CCC2=CC=CC=C2)C(=O)C1 4H17-1-09 [0,0,0,1,0,1|2,0,0]=4 83 B16R2.5963 [C@@H]1(C2=CC=CC=C2)COC(=O)N1C(C)=O 4H48-1-R5 [0,0,0,1,0,1|1,0,0]=3 84 B16R2.95959 O=C1CC(=O)CC(C2=CC=CC=C2Cl)C1 2218-5-02 [0,1,0,1,0,0|1,0,0]=3 85 B16R2.44148 O=C(C=C1COC1)OCC2=CC=CC=C2 2H23-1-49 [0,1,0,1,0,0|0,0,2]=4 86 B16R2.79341 CC1=CC=C(C2CC(=O)CC(=O)C2)C=C1 2718-1-07 [0,1,0,1,0,0|1,0,0]=3 87 B16R2.79341 O=C1CC(=O)CC(C2=CC=C(Br)C=C2)C1 2618-9-04 [0,1,0,1,0,0|1,0,0]=3 88 B16R2.80704 O=C1CC(=O)CC(C2=CC(Br)=CC=C2)C1 2618-9-05 [0,1,0,1,0,0|1,0,0]=3 89 B12R1.32 CCCC(=O)CC1=CC=CC=C1 2617-1-0X [1,0,0,0,1,0|0,0,1]=3 90 B12R1.32 CCCC(=O)OC1=CC=CC=C1 2623-1-16 [1,0,0,0,1,0|0,0,1]=3 91 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 2623-5-1M [1,0,0,0,1,0|1,0,1]=4 92 B12R1.32 O=C=NC(=O)CC1=CC=CC=C1 4649-1-0G [1,0,0,0,1,0|1,0,1]=4 93 B12R1.252 CC(=O)NCCC1=CC=CC=C1 4748-1-31 [1,0,0,0,1,0|1,0,1]=4 94 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 4656-1-1A [1,0,0,0,1,0|1,0,1]=4 95 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 4639-1-E0 [1,0,0,0,1,0|2,0,0]=4 96 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 2607-1-R4 [1,0,0,0,1,0|0,0,2]=4 97 B12R1.252 NC(=O)COCC1=CC=CC=C1 4H48-1-06L [1,0,0,0,1,0|1,0,0]=3 98 B12R1.252 NC(=O)NOCC1=CC=CC=C1 4653-1-09 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 2616-5-0L [1,0,0,0,1,0|1,0,1]=4 100 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 2616-5-21 [1,0,0,0,1,0|1,0,1]=4 101 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 2616-5-0K [1,0,0,0,1,0|1,0,0]=3 102 B12R1.252 O=C(O)CNCC1=CC=CC=C1 4757-1-17 [1,0,0,0,1,0|2,0,0]=4 103 B12R1.43 C=C(C)C(=O)NC1=CC=CC=C1 4648-1-1G [0,0,0,0,2,0|2,0,0]=4 104 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 2617-1-0H [0,0,0,0,2,0|1,0,1]=4 105 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 2617-1-2G [0,0,0,0,2,0|1,0,1]=4 106 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 2623-1-3U [0,0,0,0,2,0|1,0,1]=4 107 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 4648-1-4L [0,0,0,0,2,0|2,0,0]=4 108 B12R1.43 O=C(O)C(=O)CC1=CC=NC=C1 4H29-1-5F [0,0,0,0,2,0|2,0,0]=4 109 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4657-1-33 [0,0,0,0,2,0|2,0,0]=4 110 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 2617-1-1Z [0,0,0,0,2,0|1,0,1]=4 111 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 6666-3-06 [0,0,0,0,2,0|2,0,0]=4 112 B16R1.608 O=C(O)CCCC(=O)OCC1=CC=CC=C1 2623-1-85 [0,0,0,0,0,2|1,0,0]=3 113 B16R1.608 O=C(O)CCNC(=O)OCC1=CC=CC=C1 4658-1-0Y [0,0,0,0,0,2|1,0,0]=3