0 B12R1.56 CC1=CC=C(C(=O)O)C=C1C=O 2721-1-1Y [0,0,0,0,0,0|3,0,0]=3 1 B12R1.56 CCC1=CC(B(O)O)=CC=C1F 6760-3-0T [0,0,0,0,0,0|3,0,1]=4 2 B12R1.56 COC1=C(N)C=CC(C(C)O)=C1 4630-1-0G [0,0,0,0,0,0|2,0,1]=3 3 B12R1.56 COC1=CC(C(C)=O)=CC=C1Br 2617-9-37 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.56 O=CC1=CC(B(O)O)=CC=C1O 6660-1-84 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.56 O=CC1=CC(C(=O)O)=CC=C1O 2629-1-0U [0,0,0,0,0,0|2,0,0]=2 6 B11R1.21 CC(=O)C1=CC(O)=C(Cl)C=C1 2617-5-1G [1,0,0,0,0,0|2,0,0]=3 7 B11R1.21 CC(=O)C1=CC=C(C)C(N)=C1 4756-1-1S [1,0,0,0,0,0|3,0,0]=4 8 B11R1.21 CC(=O)C1=CC=C(N)C(Cl)=C1 4656-5-2D [1,0,0,0,0,0|3,0,0]=4 9 B11R1.21 CC(=O)C1=CC=C(N)C(I)=C1 4656-H-0A [1,0,0,0,0,0|3,0,0]=4 10 B11R1.21 CC1=CC(B(O)O)=CN=C1O 8H60-1-9X [1,0,0,0,0,0|2,0,1]=4 11 B11R1.21 CC1=CC(C(N)=O)=NC=C1Br 4H48-9-0S [1,0,0,0,0,0|3,0,0]=4 12 B11R1.21 NC1=CC(C(=O)O)=CN=C1N 4H57-1-15 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.21 O=C(O)C1=CN=C(O)C(O)=C1 4H58-1-499 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.21 O=C(O)C1=C[C@@H](O)[C@H](O)C=C1 2629-1-0M [1,0,0,0,0,0|0,0,2]=3 15 B11R1.266 N#CC1=CC=NC(C(=O)O)=C1 4H58-1-DD [1,0,0,0,0,0|3,0,0]=4 16 B11R1.266 NNC1=CC(C(=O)O)=CC=N1 4H39-1-12 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.280 CNC1=CC(C#N)=CC=C1O 4637-1-4K [1,0,0,0,0,0|2,0,1]=4 18 B11R1.280 COC1=C(F)C=CC(CN)=C1 4656-3-BW [1,0,0,0,0,0|2,0,1]=4 19 B11R1.280 N#CC1=CC(C=O)=CC=C1N 4637-1-48 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 2620-1-0Q [0,1,0,0,0,0|1,0,0]=2 21 B13R1.49 COC(=O)C1=CN=C(Cl)C(OC)=C1 4H23-5-X1 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.50 COC1=CC(S(=O)(=O)Cl)=CC=C1Cl 6662-5-0J [0,1,0,0,0,0|2,0,1]=4 23 B13R1.298 N#CC1=CC(C(=O)O)=CC(F)=C1F 4637-3-5C [0,1,0,0,0,0|3,0,0]=4 24 B13R1.651 COC1=CC(C(C)=O)=C(N)C=C1F 4656-3-C0 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.651 COC1=CC([N+](=O)[O-])=C(C)C=C1Br 4754-9-48 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.3091 C#CC1=C(OC)C=C([N+](=O)[O-])C=C1 4954-1-0A [0,1,0,0,0,0|2,0,1]=4 27 B13R1.3091 CCC1=CC(C(C)=O)=CC=C1CO 2717-1-0U [0,1,0,0,0,0|2,0,0]=3 28 B13R1.3091 COC1=CC(B(O)O)=CN=C1OC 8H60-1-NK [0,1,0,0,0,0|2,0,1]=4 29 B13R1.3091 COC1=CC=C(C(=O)O)C=C1C#N 4637-1-3H [0,1,0,0,0,0|2,0,0]=3 30 B13R1.3230 COC1=C(Br)C=CC(C(=O)O)=C1C 2723-9-23 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.3230 COC1=C(Br)C=CC(C(=O)O)=C1F 2621-B-10 [0,1,0,0,0,0|1,0,0]=2 32 B13R2.430 CC(=O)C1=CC=C2NCCC2=C1 4H17-1-8E [0,0,0,1,0,0|3,0,0]=4 33 B13R2.430 O=C(Cl)C1=CC=C2OC=CC2=C1 2H16-5-15 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.430 O=C(O)C1=CC=C2CCCC2=C1 2721-1-3D [0,0,0,1,0,0|2,0,0]=3 35 B10R1.13 NC1=CC=C(C(=O)Cl)C=C1 4630-5-0B [2,0,0,0,0,0|2,0,0]=4 36 B10R1.113 CS(=O)C1=CC(O)=CC=C1 6665-1-0E [2,0,0,0,0,0|2,0,0]=4 37 B10R1.176 CC1=CC(C=O)=CN=C1O 4H56-1-0NL [2,0,0,0,0,0|1,0,0]=3 38 B10R1.176 NC1=CC(C=O)=CC=C1F 4630-3-0R [2,0,0,0,0,0|2,0,0]=4 39 B10R1.176 O=CC1=CC(Br)=C(O)N=C1 4H15-9-0K [2,0,0,0,0,0|2,0,0]=4 40 B10R1.176 O=CC1=CC(I)=C(O)N=C1 4H15-H-08 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 2604-5-0F [2,0,0,0,0,0|1,0,1]=4 42 B10R1.172 C=CC1=CC(OC)=CC=N1 4H07-1-1W [2,0,0,0,0,0|2,0,0]=4 43 B10R1.172 CNC1=CC=CC(CO)=C1 4656-1-0E [2,0,0,0,0,0|1,0,1]=4 44 B10R1.30 COC1=CC(O)=CC=C1C 2707-1-1N [2,0,0,0,0,0|1,0,0]=3 45 B10R1.30 COC1=CC(O)=CN=C1F 4H07-3-1V [2,0,0,0,0,0|2,0,0]=4 46 B12R1.23 NC1=CC=C(S(=O)(=O)O)C=C1O 8663-1-06 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.48 CC(=O)C1=CC=C(C#N)C(C)=C1 4737-1-1B [1,1,0,0,0,0|2,0,0]=4 48 B12R1.48 COC1=C(Br)C=C(C(=O)Cl)C=C1 2616-D-04 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.48 COC1=C(C)C=C(C(N)=O)C=C1 4748-1-1C [1,1,0,0,0,0|1,0,0]=3 50 B12R1.232 CC1=C(C)C=C(C(=O)O)C(N)=C1 4757-1-57 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.232 CC1=CC(C(=O)Cl)=C(Cl)C=C1F 2716-7-30 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.232 CC1=CC(C(=O)Cl)=C(F)C=C1Cl 2716-7-29 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.232 CC1=CC(C(=O)Cl)=C(F)C=C1F 2716-7-28 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1O 2729-1-81 [1,1,0,0,0,0|0,0,0]=2 55 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Cl 2721-7-07 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1Br 2621-U-02 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.367 CCC(=O)C1=CC=C(Cl)C(O)=C1 2617-5-1C [1,1,0,0,0,0|2,0,0]=4 58 B12R1.367 COC(=O)C1=CN=C(O)C(C)=C1 4H58-1-337 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.893 CC1=C(Br)C=CC(C(=O)O)=C1F 2721-B-33 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.893 CC1=C(C)C(C(=O)O)=CC=C1F 2721-3-0K [1,1,0,0,0,0|1,0,0]=3 61 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Cl 2621-7-0J [1,1,0,0,0,0|2,0,0]=4 62 B12R1.1005 CC(=O)C1=CC(F)=C(O)C(F)=C1 2620-3-14 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1I 4748-H-00 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.11 CC1=CC(C#N)=CC(C(=O)O)=C1 4737-1-0Y [1,1,0,0,0,0|2,0,0]=4 65 B12R1.11 CC1=CC(C(=O)O)=CC(C=O)=C1 2721-1-3T [1,1,0,0,0,0|2,0,0]=4 66 B12R1.11 O=C(O)C1=CC(CO)=CC(Cl)=C1 2629-5-42 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.258 CC(=O)C1=CC=CC(C(=O)Cl)=C1 2617-5-0E [1,1,0,0,0,0|2,0,0]=4 68 B12R1.258 CC(C)C1=CC=NC(C(=O)O)=C1 4H21-1-FW [1,1,0,0,0,0|2,0,0]=4 69 B12R1.279 CCOC1=CC=CC(C(=O)O)=N1 4H21-1-V1 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.279 COCC1=CC=CC([N+](=O)[O-])=C1 4654-1-8N [1,1,0,0,0,0|1,0,1]=4 71 B12R1.435 COC(=O)C1=CN=CC(OC)=C1 4H23-1-8T [1,1,0,0,0,0|1,0,0]=3 72 B12R1.435 COC1=CC(C(O)CN)=CC=C1 4656-5-2S [1,1,0,0,0,0|1,0,1]=4 73 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 4656-1-SW [1,1,0,0,0,0|1,0,1]=4 74 B12R1.440 CC1=C(C#N)C=CC=C1C(=O)O 4737-1-1D [1,1,0,0,0,0|2,0,0]=4 75 B12R1.440 COC1=CC=CC(B(O)O)=C1Cl 6660-5-34 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1O 4654-1-4Z [1,1,0,0,0,0|1,0,1]=4 77 B12R1.440 O=CC1=C(Br)C(C(=O)O)=CC=C1 2621-9-33 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.440 O=CC1=C(O)C(C(=O)O)=CC=C1 2621-1-3N [1,1,0,0,0,0|2,0,0]=4 79 B12R1.453 CC1=CC=C(C#N)C=C1C(=O)O 4737-1-1A [1,1,0,0,0,0|2,0,0]=4 80 B12R1.453 COC1=CC=C(F)C(C(=O)O)=N1 4H21-3-5A [1,1,0,0,0,0|1,0,0]=3 81 B12R1.453 COC1=CC=C(F)C(C(C)=O)=C1 2617-3-0U [1,1,0,0,0,0|1,0,0]=3 82 B12R1.453 N#CC1=CC=C(Br)C(C(=O)O)=C1 4637-9-03 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.453 N#CC1=CC=C(I)C(C(=O)O)=C1 4637-H-05 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.453 O=C(O)C1=CC(CO)=CC=C1F 2729-3-12 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.453 O=CC1=CC=C(Br)C(C(=O)O)=C1 2621-9-34 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.270 CCOC1=CC(C=O)=CC=C1Br 2615-9-31 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.270 CCOC1=CC(C=O)=CC=C1F 2615-3-1R [1,1,0,0,0,0|1,0,0]=3 88 B12R1.449 COC1=CC(C=O)=C(F)C=C1Cl 2615-7-0L [1,1,0,0,0,0|1,0,0]=3 89 B12R1.654 COC1=C(O)C=CC(C=O)=C1Cl 2615-5-0E [1,1,0,0,0,0|0,0,0]=2 90 B12R1.766 COC1=C(C(=O)O)SC(Br)=C1Br 6H66-9-0A [0,1,0,0,1,0|2,0,0]=4 91 B14R1.41 COC1=CC(C(=O)C(C)O)=CC=C1O 2620-1-66 [0,1,0,0,0,1|1,0,1]=4 92 B14R1.3405 COC(=O)CC1=CC(OC)=C(O)C=C1 2623-1-3C [0,1,0,0,0,1|0,0,0]=2 93 B14R1.1864 COC(=O)C1=CC=C(C=O)C(OC)=C1 2H23-1-0W [0,2,0,0,0,0|0,0,1]=3 94 B14R1.1864 COC1=CC=C(C(=O)CN)C=C1OC 4656-5-0M [0,2,0,0,0,0|1,0,0]=3 95 B14R1.2283 COC(=O)C1=CC(OC)=C(Br)C=C1Br 2623-9-0U [0,2,0,0,0,0|1,0,0]=3 96 B14R1.676 O=C(O)C1=NC=C(Cl)C(OC(F)F)=C1 4H21-7-0K [0,2,0,0,0,0|2,0,0]=4 97 B14R1.1851 COC1=C(OC)C=C(C(C)=O)C(F)=C1 2617-3-0Y [0,2,0,0,0,0|1,0,0]=3 98 B14R1.6723 CCOC1=CC=C(C(=O)O)C=C1C#N 4637-1-3G [0,2,0,0,0,0|2,0,0]=4 99 B12R2.44 O=CC1=CC=C2C=COC2=C1 2H15-1-31 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.24358 CC1=COC2=CC=C(C(=O)O)C=C12 2H21-1-0N [0,1,0,1,0,0|1,0,0]=3 101 B14R2.966 O=C(CCl)C1=CC=C2OCCC2=C1 2H17-5-04 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.2167 COC1=CC2=C(C=C1F)CCC2=O 2617-3-2U [0,1,0,1,0,0|2,0,0]=4 103 B14R2.601 CC1=NC2=CC(C(=O)Cl)=CC=C2O1 4H16-5-0M [0,1,0,1,0,0|2,0,0]=4 104 B14R2.601 CC1=NC2=CC=C(C(=O)Cl)C=C2O1 4H16-5-0L [0,1,0,1,0,0|2,0,0]=4 105 B14R2.781 NC(=O)C1=CC2=C(C=C1)OCCO2 4H48-1-09K [0,1,0,1,0,0|1,0,0]=3 106 B14R2.781 O=C(O)C1=CC=C2NCCOC2=C1 4H58-1-WF [0,1,0,1,0,0|1,0,0]=3 107 B14R2.781 O=C(O)C1=CC=C2OCCNC2=C1 4H58-1-FZ [0,1,0,1,0,0|1,0,0]=3 108 B14R2.8653 CC(=O)C1=CC=C(Br)C2=C1OCO2 2H17-9-0F [0,1,0,1,0,0|2,0,0]=4 109 B10R1.39 COC1=CSC=C1C(=O)Cl 6H16-5-07 [1,0,0,0,1,0|2,0,0]=4 110 B12R1.57 COC1=NC(Br)=CC=C1C(=O)O 4H21-9-0F [0,0,0,0,1,1|1,0,0]=3 111 B12R1.87 COC1=C(C(=O)O)C=CC=C1O 2621-1-2Z [0,0,0,0,1,1|0,0,0]=2 112 B14R1.42 COC1=CC(CC[N+](=O)[O-])=CC=C1O 4654-1-AY [0,0,0,0,0,2|1,0,1]=4