0 B12R1.77 CCC1=C(C(=O)OC)C=CC=C1 2723-1-1N [0,0,0,0,0,0|1,0,0]=1 1 B12R1.77 CNC(=O)C1=CC=CC=C1CO 4H48-1-VJ [0,0,0,0,0,0|3,0,0]=3 2 B12R1.77 COC(=O)C1=CN=CN=C1OC 4H58-1-522 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.77 COC(=O)C1=NC=CC=C1C=O 4H23-1-68 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.77 COC(=O)C1=NC=CC=C1OC 4H23-1-HR [0,0,0,0,0,0|1,0,0]=1 5 B11R1.41 COCC1=CC=CC=C1C=O 2615-1-2U [1,0,0,0,0,0|2,0,1]=4 6 B11R1.53 CCC1=C(C(N)=O)C=CC=C1 4748-1-0K [1,0,0,0,0,0|2,0,0]=3 7 B11R1.53 CNC1=CC=CC=C1C(C)=O 4631-1-0L [1,0,0,0,0,0|1,0,0]=2 8 B11R1.53 COC1=CC=CC=C1C(C)N 4630-1-1F [1,0,0,0,0,0|1,0,1]=3 9 B11R1.53 COC1=CC=CN=C1C(N)=O 4H48-1-094 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.53 COC1=CC=NC=C1B(O)O 4H60-1-X0 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.53 COC1=CC=NC=C1C(C)=O 4H17-1-4A [1,0,0,0,0,0|1,0,0]=2 12 B11R1.53 COC1=NC=CC=C1C(C)O 4H07-1-84 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.53 CSC1=CC=CC=C1C(N)=O 8666-1-29 [1,0,0,0,0,0|1,1,0]=3 14 B11R1.53 O=CC1=CC=CC=C1C(=O)Cl 2616-5-0B [1,0,0,0,0,0|3,0,0]=4 15 B11R1.222 CC1=CC=CC=C1C(=O)C#N 4746-1-02 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.222 CCC(=O)C1=CC=CC=C1Cl 2617-5-31 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.222 COC(=O)C1=NC=CC=C1I 4H23-H-02 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.222 COC(=O)C1=NC=NC=C1Br 4H58-9-2Z [1,0,0,0,0,0|3,0,0]=4 19 B13R1.89 COC1=C(C(=O)C(C)Br)C=CC=C1 2617-9-0M [0,1,0,0,0,0|1,0,0]=2 20 B13R1.107 COC1=C(C(=O)CBr)C=CC=C1C 2717-9-0E [0,1,0,0,0,0|2,0,0]=3 21 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=N1 4H23-1-HU [0,1,0,0,0,0|3,0,0]=4 22 B13R1.464 CCOC(=O)C1=CC=CC=C1NC 4631-1-10 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.464 CCOC(=O)C1=NC=CC=C1C#N 4H58-1-FH [0,1,0,0,0,0|3,0,0]=4 24 B13R1.547 COC(=O)C1=CC=CC=C1C(C)C 2723-1-50 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.547 COC(=O)C1=CC=CC=C1C(N)=O 4648-1-0D [0,1,0,0,0,0|2,0,0]=3 26 B13R1.2065 CNC1=C(C(=O)OC)C=NC(F)=C1 4H58-3-AJ [0,1,0,0,0,0|2,0,0]=3 27 B13R1.2065 COC(=O)C1=C(C#N)C=C(F)C=C1 4637-3-4U [0,1,0,0,0,0|2,0,0]=3 28 B13R1.2065 COC(=O)C1=C(SC)C=C(Br)C=C1 6666-9-08 [0,1,0,0,0,0|0,1,0]=2 29 B13R1.2209 COC(=O)C1=C(OC)C=CC(F)=C1 2623-3-0S [0,1,0,0,0,0|0,0,0]=1 30 B13R1.2209 COC(=O)C1=CC(F)=CN=C1OC 4H23-3-2X [0,1,0,0,0,0|1,0,0]=2 31 B13R1.2357 COC(=O)C1=C(Br)C=CC=C1OC 2623-9-28 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.2357 COC(=O)C1=C(Cl)C=CC=C1OC 2623-5-0E [0,1,0,0,0,0|0,0,0]=1 33 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1C 2723-1-1L [0,1,0,0,0,0|0,0,0]=1 34 B13R2.1613 COC1=CN=CC2=CC=CC=C21 4H07-1-4F [0,0,0,1,0,0|3,0,0]=4 35 B13R2.5252 O=C1NN=COC2=C1C=CC=C2 4H48-1-02D [0,0,0,1,0,0|2,0,1]=4 36 B11R1.59 CCC1=NOC=C1C(=O)OC 4H58-1-558 [0,0,0,0,1,0|3,0,0]=4 37 B11R1.59 COC(=O)C1=C(CBr)C=CO1 2H23-9-0G [0,0,0,0,1,0|3,0,0]=4 38 B10R1.4 CCSC1=C(O)C=CC=C1 6666-1-1Q [2,0,0,0,0,0|2,0,0]=4 39 B10R1.4 CNCC1=C(O)C=CC=C1 4633-5-06 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.20 COC1=CC=NC=C1C=O 4H15-1-1W [2,0,0,0,0,0|1,0,0]=3 41 B10R1.20 O=CC1=C(CBr)C=CC=C1 2715-9-07 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.61 CC1=CC=NC=C1C(N)=O 4H48-1-7Q [2,0,0,0,0,0|2,0,0]=4 43 B10R1.61 CS(=O)C1=CC=CC=C1I 6667-H-00 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.61 O=C(Cl)C1=CC=CC=C1O 2616-5-0D [2,0,0,0,0,0|1,0,0]=3 45 B10R1.61 O=C(Cl)C1=CC=CC=C1S 6661-5-00 [2,0,0,0,0,0|1,1,0]=4 46 B10R1.61 O=C(O)C1=CC=CC=C1S 6661-1-X8 [2,0,0,0,0,0|0,1,0]=3 47 B10R1.15 C=CC(=O)C1=CC=CC=C1 2617-1-0U [2,0,0,0,0,0|1,0,1]=4 48 B12R1.112 CCOC1=CC=C(O)C=C1OC 2608-1-0T [1,1,0,0,0,0|2,0,0]=4 49 B12R1.121 COC1=CC=CC=C1\C=C\C=O 2615-1-1F [1,1,0,0,0,0|1,0,1]=4 50 B12R1.268 CCOC1=CC(O)=CC=C1OC 2608-1-0W [1,1,0,0,0,0|2,0,0]=4 51 B12R1.46 C=CC1=CC=C(Cl)C=C1C(=O)O 2921-5-0A [1,1,0,0,0,0|1,0,1]=4 52 B12R1.46 COC1=C(C(=O)O)N=C(C)N=C1 4H21-1-62 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.46 COC1=CC=C(C)C=C1C(=O)O 2721-1-3C [1,1,0,0,0,0|0,0,0]=2 54 B12R1.46 COC1=CC=C(O)C=C1[N+](=O)[O-] 4654-1-4L [1,1,0,0,0,0|1,0,1]=4 55 B12R1.57 COC1=NC(Br)=CC=C1C(=O)O 4H21-9-0F [1,1,0,0,0,0|1,0,0]=3 56 B12R1.57 N#CC1=CC(F)=CC=C1C(=O)O 4637-3-5P [1,1,0,0,0,0|2,0,0]=4 57 B12R1.87 COC1=C(C(=O)O)C=CC=C1O 2621-1-2Z [1,1,0,0,0,0|0,0,0]=2 58 B12R1.87 COC1=C(F)C=CC=C1C(C)N 4756-3-18 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.87 COC1=C(F)C=CC=C1C(C)O 2607-3-1L [1,1,0,0,0,0|0,0,2]=4 60 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O 4H58-1-348 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.437 CNC1=C(C(=O)O)C(Cl)=CC=C1 4657-5-0B [1,1,0,0,0,0|1,0,0]=3 62 B12R1.437 COC1=C(C(N)=O)C(C)=CC=C1 4748-1-1D [1,1,0,0,0,0|1,0,0]=3 63 B12R1.437 COC1=CC=CC(C)=C1B(O)O 6760-1-0H [1,1,0,0,0,0|1,0,1]=4 64 B12R1.437 COC1=CC=NC(Cl)=C1C(=O)O 4H21-5-1E [1,1,0,0,0,0|1,0,0]=3 65 B12R1.437 N#CC1=C(C(=O)O)C(F)=CC=C1 4637-3-97 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.24 CC1=CC=CC(C(=O)CCl)=C1O 2720-5-08 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1N 4H58-5-89 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.24 COC(=O)C1=CC=CC(F)=C1C 2723-3-0N [1,1,0,0,0,0|0,0,0]=2 69 B12R1.24 COC(=O)C1=CC=CC(O)=C1F 2629-3-31 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.24 COC(=O)C1=CC=NC(F)=C1F 4H23-3-1J [1,1,0,0,0,0|2,0,0]=4 71 B12R1.308 C=COC(=O)C1=C(Cl)C=CC=C1 2624-5-02 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 4648-1-3Y [1,1,0,0,0,0|1,0,0]=3 73 B12R1.354 CNC(=O)C1=CC(O)=CC=C1F 4648-3-2U [1,1,0,0,0,0|2,0,0]=4 74 B12R1.354 COC(=O)C1=CC(Br)=NC=C1Cl 4H23-D-0C [1,1,0,0,0,0|2,0,0]=4 75 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1N 4H58-5-X0 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.354 COC(=O)C1=CC(N)=CC=C1N 4H58-1-486 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.354 COC(=O)C1=CC(O)=CC=C1O 2629-1-U8 [1,1,0,0,0,0|0,0,0]=2 78 B12R1.354 CSC(=O)C1=C(F)C=CC(F)=C1 6667-3-S0 [1,1,0,0,0,0|1,1,0]=4 79 B12R1.1703 CNC(=O)C1=C(Br)C=C(F)C=C1 4648-B-38 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.1703 CNC(=O)C1=C(F)C=C(Cl)C=C1 4648-7-0H [1,1,0,0,0,0|2,0,0]=4 81 B12R1.1703 CNC(=O)C1=CC=C(O)C=C1Cl 4648-5-3M [1,1,0,0,0,0|2,0,0]=4 82 B12R1.1703 CNC(=O)C1=CC=C(O)C=C1F 4648-3-2V [1,1,0,0,0,0|2,0,0]=4 83 B12R1.1703 COC(=O)C1=C(F)C=C(C)C=C1 2723-3-0C [1,1,0,0,0,0|1,0,0]=3 84 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=N1 4H30-3-1R [1,1,0,0,0,0|2,0,0]=4 85 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Br 2629-9-29 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1O 4H29-5-49 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.1703 O=C(CCl)C1=CC=C(F)C=C1O 2617-7-59 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.3441 COC(=O)C1=C(F)C=NC=C1F 4H23-3-2Z [1,1,0,0,0,0|2,0,0]=4 89 B12R1.3441 COC(=O)C1=C(N)C=CN=C1Cl 4H58-5-4F [1,1,0,0,0,0|2,0,0]=4 90 B12R1.3441 COC(=O)C1=C(O)C=CC=C1Cl 2623-5-1G [1,1,0,0,0,0|0,0,0]=2 91 B14R1.965 CCOC(=O)CC1=CC=CC=C1C#N 4637-1-4C [0,1,0,0,0,1|2,0,0]=4 92 B14R1.3417 COC(=O)CC1=CC=C(O)C=C1C#N 4637-1-82 [0,1,0,0,0,1|2,0,0]=4 93 B14R1.3417 COC(=O)CC1=CC=C(O)C=C1OC 2729-1-22 [0,1,0,0,0,1|0,0,0]=2 94 B14R1.1712 COC1=C(C(C)(OC)OC)C=CC=C1 2608-1-1P [0,2,0,0,0,0|0,0,2]=4 95 B14R1.12530 COC1=C(C(=O)CBr)C=C(Br)C=C1C 2717-9-0C [0,2,0,0,0,0|2,0,0]=4 96 B14R1.746 COC(=N)C1=CC=CC=C1C(=O)OC 4636-5-04 [0,2,0,0,0,0|0,0,0]=2 97 B14R1.789 CCCOC1=C(C(=O)OC)C=CC=C1 2623-1-3N [0,2,0,0,0,0|0,0,0]=2 98 B14R1.5122 CCNC1=C(C(=O)OC)C=NC(F)=C1 4H58-3-AD [0,2,0,0,0,0|2,0,0]=4 99 B14R1.7233 CCOC(=O)C1=C(SC)C=C(Br)C=C1 6666-9-07 [0,2,0,0,0,0|0,1,0]=3 100 B14R1.707 COC(=O)C1=CC(Br)=CC=C1C(F)F 2723-B-28 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.2287 COC(=O)C1=CC(C)=C(Cl)C=C1OC 2723-5-0B [0,2,0,0,0,0|0,0,0]=2 102 B14R1.2334 COC(=O)C1=CC=C(C=O)C=C1OC 2623-1-79 [0,2,0,0,0,0|0,0,0]=2 103 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 2623-1-3M [0,0,1,1,0,0|1,0,1]=4 104 B12R1.27 COC(=O)\C=C\C1=NC=CC=C1 4H23-1-LJ [0,0,1,1,0,0|2,0,0]=4 105 B12R1.353 COC(=O)\C=C\C1=CC=NN1C 4H23-1-K0 [0,0,1,1,0,0|2,0,0]=4 106 B14R2.11645 COC1=C2N=C(N)N(C)C2=CC=C1 4H56-1-0K0 [0,0,0,1,0,1|2,0,0]=4 107 B14R2.98 COC1=CC=CC=C1C2=NCCO2 4H07-1-0N [0,1,0,1,0,0|1,0,0]=3 108 B14R2.685 NC1=CC=CC2=C1NCCNC2=O 4H54-1-99 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.10782 COC(=O)C1=C2SC=CC2=CC=C1 6H23-1-0E [0,1,0,1,0,0|0,1,1]=4 110 B14R2.10782 COC(=O)C1=CC=CC2=C1CCN2 4H23-5-6R [0,1,0,1,0,0|1,0,0]=3 111 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 2617-1-1A [0,1,0,1,0,0|2,0,0]=4 112 B10R1.39 COC1=CSC=C1C(=O)Cl 6H16-5-07 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.149 COC(=O)C1=C(C)C=CN1 4H23-1-G5 [1,0,0,0,1,0|1,0,0]=3 114 B10R1.149 COC(=O)C1=COC=C1Br 2H23-9-0H [1,0,0,0,1,0|2,0,0]=4 115 B10R1.149 COC(=O)C1=CON=C1C 4H23-1-LE [1,0,0,0,1,0|2,0,0]=4 116 B14R1.863 COC(=O)COC1=C(C#N)C=CC=C1 4637-1-0R [0,0,0,0,0,2|2,0,0]=4