0 B10R1.39 COC1=C(C(=O)O)SC=C1 6H66-1-Y3 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.39 COC1=CSC=C1C(=O)O 6H21-1-23 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.14 CCN1C=CN=C1C=O 4H15-1-7N [1,0,0,0,0,0|1,0,0]=2 3 B9R1.14 COC1=C(C=O)SC=C1 6H66-1-Y4 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.41 CC(=O)C1=C(Cl)C=CS1 6H66-5-X3 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.41 CC(=O)C1=CC=CN1C 4H17-1-20 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.41 CC(=O)C1=NC=CN1C 4H56-1-NW [1,0,0,0,0,0|1,0,0]=2 7 B9R1.41 CC1=C(C(=O)O)C=CS1 6H21-1-X2 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.41 CC1=C(C(=O)O)SC=C1 6H21-1-X8 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.41 CN1C=CC=C1C(=O)O 4H21-1-AF [1,0,0,0,0,0|1,0,0]=2 10 B9R1.41 CN1C=CN=C1C(=O)O 4H21-1-K2 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.41 CN1C=NC=C1C(=O)O 4H56-1-Q4 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.41 CN1N=CC=C1C(=O)O 4H56-1-Y9 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.49 CCN1N=C(C)C=C1C(=O)O 4H21-1-AP [0,1,0,0,0,0|2,0,0]=3 14 B11R1.59 COC(=O)C1=C(CBr)OC=C1 2H23-9-X1 [0,1,0,0,0,0|3,0,0]=4 15 B11R2.106 O=C1CCCC2=C1C=CN2 4H17-1-X4 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 4637-1-06 [0,0,0,0,0,1|2,0,1]=4 17 B11R1.53 CC(=O)C1=C(C=O)C=CC=C1 2617-1-2P [0,0,0,0,0,1|2,0,1]=4 18 B11R1.53 CCC1=CC=CC=C1C(=O)O P612-A-31 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.53 CNC1=CC=CC=C1C(N)=O 4648-1-15 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.53 COC1=CC=CC=C1C(=O)Cl 2616-5-14 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.53 COC1=CC=CC=C1C(=O)O 2621-1-Z5 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.53 COC1=CC=CC=C1C(C)=O 2617-1-14 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.53 COC1=CC=CC=C1C(N)=O 4648-1-14 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.53 COC1=CC=CN=C1C(=O)O 4H21-1-X1 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.53 COC1=NC=CC=C1C(=O)O 4H21-1-Q9 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.53 CSC1=CC=CC=C1C(=O)O 6666-1-01 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.53 CSC1=NC=CC=C1C(=O)Cl 8H66-5-Z7 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.53 CSC1=NC=CC=C1C(N)=O 8H66-1-75 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.53 O=C(O)C1=CC=CC=C1CBr 2721-9-X2 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.53 O=C(O)C1=CC=CC=C1CCl 2721-5-00 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 4637-1-P4 [0,0,0,0,0,1|2,0,1]=4 32 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 2616-5-03 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.266 COC1=CC=CC(C(C)=O)=C1 2617-1-X7 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 6665-1-X0 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 4757-5-X2 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 2721-5-X1 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.266 O=C(O)C1=NC(CO)=CC=C1 4H29-1-X0 [0,0,0,0,0,1|3,0,0]=4 38 B8R1.11 CC1=C(C=O)C=CO1 2H15-1-11 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.11 CC1=C(C=O)SC=C1 6H15-1-X3 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.11 CN1C=CC=C1C#N 3H37-1-4K [2,0,0,0,0,0|1,0,1]=4 41 B8R1.11 CN1C=NC=C1C=O 4H15-1-V7 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.11 CN1N=CC=C1C=O 4H15-1-N1 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.7 CC(=O)C1=CC=CN1 4H17-1-Z4 [2,0,0,0,0,0|0,0,0]=2 44 B8R1.7 CC(=O)C1=CC=CO1 2H17-1-X1 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.7 CC(=O)C1=CC=CS1 6H66-1-X9 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.7 CC(=O)C1=CC=NN1 4H17-5-X2 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.7 CC(=O)C1=CNC=C1 4H17-1-65 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.7 CC(=O)C1=CSC=C1 6H17-1-X0 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.7 CC(C)=C1C=CC=C1 1400-1-13 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.7 NC(=O)C1=CC=CN1 4H48-1-5L [2,0,0,0,0,0|1,0,0]=3 51 B8R1.7 NC(=O)C1=CC=CS1 8H48-1-00 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.7 O=C(Cl)C1=CC=CO1 2H16-5-X2 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.7 O=C(Cl)C1=CC=CS1 6H16-5-X0 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.7 O=C(O)C1=CC=CN1 4H56-1-6E [2,0,0,0,0,0|1,0,0]=3 55 B8R1.7 O=C(O)C1=CC=CO1 2H21-1-Y1 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.7 O=C(O)C1=CC=CS1 6H21-1-02 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.7 O=C(O)C1=CN=CN1 P612-A-11 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.7 O=C(O)C1=NC=CN1 P612-A-10 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 4H17-1-2Q [1,1,0,0,0,0|2,0,0]=4 60 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 4H16-5-X8 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 4H21-1-P4 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 4H48-1-J7 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.149 CN1C=CC=C1C(=O)NN 4H48-1-YP [1,1,0,0,0,0|1,0,0]=3 64 B10R1.149 COC(=O)C1=C(C)C=CO1 2H23-1-25 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.149 COC(=O)C1=CC=CN1C 4H23-1-4S [1,1,0,0,0,0|0,0,0]=2 66 B10R1.149 COC(=O)C1=CC=NN1C 4H58-1-VJ [1,1,0,0,0,0|1,0,0]=3 67 B10R1.192 CN1N=CC(I)=C1C(=O)O 4H56-H-X2 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.46 COC1=CC=C(Br)C=C1C(C)=O 2617-9-22 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 2617-3-14 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.77 CNC1=CC=CC=C1C(=O)OC 4H56-1-5G [0,1,0,0,0,1|2,0,0]=4 71 B12R1.77 COC(=O)C1=CC=CC=C1CN 4658-5-X3 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.77 COC(=O)C1=CC=CC=C1OC 2623-1-2G [0,1,0,0,0,1|2,0,0]=4 73 B12R1.77 COC(=O)C1=CC=CN=C1OC 4H58-1-602 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.77 COC(=O)C1=CN=CC=C1OC 4H56-1-2C [0,1,0,0,0,1|2,0,0]=4 75 B12R1.77 COC1=CC=CC=C1C(=O)CBr 2617-9-Y4 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.87 COC1=C(Br)C=CC=C1C(C)=O 2617-9-Y5 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.87 COC1=C(F)C=CC=C1C(C)=O 2617-3-58 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl 2616-5-X3 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.283 CCOC1=CC=CC=C1C(=O)O 2621-1-Y5 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.283 CCOC1=CC=CC=C1C(C)=O 2617-1-07 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.283 CCOC1=NC=CC=C1C(=O)O 4H21-1-42 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.283 CCSC1=NC=CC=C1C(=O)Cl 8H66-5-Z4 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.283 CCSC1=NC=CC=C1C(=O)O 8H66-1-71 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.437 COC1=CC=CC(F)=C1C(C)=O 2617-3-45 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.437 COC1=CC=CC(O)=C1C(C)=O 2620-1-Y4 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 2617-3-43 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.56 COC1=CC(C(C)=O)=CC=C1O 2620-1-50 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.258 CC(=O)C1=CC=CC(C(C)=O)=N1 4H18-1-02 [0,1,0,0,0,1|1,0,1]=4 89 B12R1.258 CC(C)C1=CC=CC(C(=O)O)=C1 P911-A-88 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.279 CCOC1=CC=CC(C(=O)O)=C1 2621-1-2M [0,1,0,0,0,1|2,0,0]=4 91 B12R1.279 CCOC1=CC=CC(C(N)=O)=C1 4648-1-09 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 2723-9-Y1 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 P911-A-18 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 2617-9-X2 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.440 COC1=CC=CC(C(C)=O)=C1F 2617-3-84 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.453 CCC1=CC=C(O)C(C(C)=O)=C1 2717-1-1H [0,1,0,0,0,1|1,0,0]=3 97 B12R1.453 COC1=CC=C(Br)C(C(C)=O)=C1 2617-9-Y1 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 2620-1-Y2 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.609 CCN1N=C(C)C(Br)=C1C(=O)O 4H21-9-X7 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.291 CCOC1=C(C(=O)OC)SC=C1 6H23-1-13 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.368 COC(=O)C1=CC=NN1C(F)F 4H23-3-3F [0,2,0,0,0,0|2,0,0]=4 102 B10R1.61 CC(=O)C1=CC=CC=C1C 2717-1-X2 [0,0,1,1,0,0|1,0,1]=4 103 B10R1.4 CCNC1=C(F)C=CC=C1 3631-3-X2 [0,0,1,1,0,0|1,0,1]=4 104 B10R1.113 CC(=O)C1=CC=CC(C)=N1 4H17-1-Y0 [0,0,1,1,0,0|0,0,2]=4 105 B12R2.1081 O=C1CCCC2=C1C=CC=C2 2717-1-03 [0,0,0,1,0,1|1,0,0]=3 106 B12R2.1081 O=C1CCCC2=C1N=CC=C2 4H17-1-15 [0,0,0,1,0,1|1,0,0]=3 107 B12R2.1081 O=C1CCOC2=CC=CC=C12 2H17-1-07 [0,0,0,1,0,1|2,0,0]=4 108 B12R2.1081 O=C1NCCC2=CC=CC=C12 4H48-1-KU [0,0,0,1,0,1|2,0,0]=4 109 B12R2.1081 O=C1OCCC2=CC=CC=C12 2H25-1-2D [0,0,0,1,0,1|2,0,0]=4 110 B10R1.20 CNC1=NC=CC=C1C=O 4H31-1-2A [1,0,0,0,0,1|2,0,0]=4 111 B10R1.20 COC1=C(C=O)C=CC=C1 2615-1-0K [1,0,0,0,0,1|2,0,0]=4 112 B10R1.20 COC1=C(C=O)C=CC=N1 4H15-1-18 [1,0,0,0,0,1|2,0,0]=4 113 B10R1.172 COC1=CC=CC(C=O)=C1 2615-1-W1 [1,0,0,0,0,1|2,0,0]=4 114 B10R1.172 COC1=CC=CC(C=O)=N1 4H56-1-U1 [1,0,0,0,0,1|2,0,0]=4 115 B10R1.172 O=CC1=CC(CBr)=CC=C1 2715-9-X1 [1,0,0,0,0,1|2,0,0]=4 116 B10R1.172 O=CC1=NC(CF)=CC=C1 4H15-3-1Q [1,0,0,0,0,1|2,0,0]=4 117 B10R1.172 O=CC1=NC(CO)=CC=C1 4H15-1-G5 [1,0,0,0,0,1|2,0,0]=4 118 B12R1.75 COC1=CC=CC=C1OC(C)=O 2623-1-06 [0,0,0,0,0,2|2,0,0]=4 119 B12R1.438 CC(=O)NC1=CC=CC(CN)=C1 4748-5-X6 [0,0,0,0,0,2|2,0,0]=4 120 B12R1.438 COC1=CC(NC(C)=O)=CC=C1 4648-1-1Z [0,0,0,0,0,2|2,0,0]=4 121 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 2717-1-08 [0,0,0,0,0,2|2,0,0]=4