0 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C21 2617-1-1N [0,0,0,0,0,0|4,0,0]=4 1 B13R2.12159 CC1(C)NC(=O)C2=CC=CC=C21 4H48-1-BP [0,0,0,0,0,0|3,0,0]=3 2 B13R2.12159 NC1=NS(=O)(=O)C2=CC=CC=C21 8H69-1-2A [0,0,0,0,0,0|1,0,1]=2 3 B13R2.12159 O=C1CS(=O)(=O)C2=CC=CC=C12 6663-1-0D [0,0,0,0,0,0|1,0,0]=1 4 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 6H64-1-00 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.12159 O=S1(=O)CC(O)C2=C1C=CC=C2 6H01-1-0C [0,0,0,0,0,0|1,0,2]=3 6 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 2617-1-Y0 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.2028 CN1NC(=O)C2=CC=CC=C21 4H48-1-9Z [1,0,0,0,0,0|2,0,0]=3 8 B12R2.2028 NC1NC(=O)C2=CC=CC=C21 4H48-1-CR [1,0,0,0,0,0|2,0,0]=3 9 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 2617-9-X0 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 2H25-9-16 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.2028 O=C1OC(Cl)C2=C1C=CC=C2 2H25-5-0Q [1,0,0,0,0,0|3,0,0]=4 12 B12R2.2403 O=S1(=O)NCC2=CC=CC=C21 8H70-1-8Z [1,0,0,0,0,0|0,0,1]=2 13 B14R2.4643 CC1(C)NC(=O)C2=CC(N)=CC=C21 4H48-1-CM [0,1,0,0,0,0|3,0,0]=4 14 B14R2.4643 CC1=CS(=O)(=O)C2=CC=C(Cl)C=C12 6H63-5-03 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.45179 NNC1=NS(=O)(=O)C2=CC=CC=C21 8H69-1-3R [0,1,0,0,0,0|1,0,1]=3 16 B14R2.57380 CN1C(=O)C2=CC=CC=C2S1(=O)=O 8H69-1-8K [0,1,0,0,0,0|0,0,0]=1 17 B12R1.39 C=CCS(=O)(=O)C1=CC=CC=C1 6963-1-03 [0,0,1,0,0,0|2,0,0]=3 18 B12R1.39 CCNS(=O)(=O)C1=CC=CN=C1 8H69-1-40 [0,0,1,0,0,0|2,0,1]=4 19 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 6664-1-0D [0,0,1,0,0,0|2,0,1]=4 20 B12R1.39 N#CCS(=O)(=O)C1=CC=CC=C1 8663-1-X2 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 8663-5-07 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.39 O=S(=O)(CCO)C1=CC=CC=C1 6663-1-13 [0,0,1,0,0,0|1,0,2]=4 23 B12R1.76 CCC1=CC=CC=C1S(=O)(=O)Cl 6762-5-03 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.76 COC1=C(S(=O)(=O)Cl)C=CC=C1 6662-5-03 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.76 COC1=C(S(C)(=O)=O)C=CC=C1 6663-1-29 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.76 COC1=C(S(N)(=O)=O)C=CC=C1 8669-1-01 [0,0,1,0,0,0|2,0,0]=3 27 B12R1.76 CS(=O)(=O)C1=C(C=O)C=CC=N1 8H63-1-5B [0,0,1,0,0,0|2,0,0]=3 28 B12R1.76 CS(=O)(=O)C1=CC=CC=C1CN 8663-1-0M [0,0,1,0,0,0|2,0,1]=4 29 B12R1.76 CS(=O)(=O)C1=CC=CC=C1NN 8639-5-X0 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O 2629-1-51 [0,0,1,0,0,0|2,0,1]=4 31 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O 6665-1-06 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.261 O=C(Cl)C1=CC=CC=C1[N+](=O)[O-] 4654-5-2L [0,0,1,0,0,0|2,0,1]=4 33 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O 2622-1-01 [0,0,1,0,0,0|2,0,1]=4 34 B14R2.29496 NC1CS(=O)(=O)CC2=CC=CC=C21 8H63-5-56 [0,0,0,0,0,1|2,0,1]=4 35 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 8669-1-0R [1,0,1,0,0,0|0,0,1]=3 36 B11R1.7 NNS(=O)(=O)C1=CC=CC=C1 8669-1-39 [1,0,1,0,0,0|1,0,0]=3 37 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 6663-5-17 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.7 O=S(=O)(CF)C1=CC=CC=C1 6663-3-0B [1,0,1,0,0,0|1,0,1]=4 39 B11R1.7 O=S(=O)(NO)C1=CC=CC=C1 8669-1-0V [1,0,1,0,0,0|0,0,1]=3 40 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 4649-1-0C [1,0,1,0,0,0|1,0,1]=4 41 B11R1.53 O=CC1=CC=CC=C1C(=O)O 2621-1-22 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.87 NC1=CC=CC=C1S(=O)(=O)O 8664-1-03 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.87 NC1=CC=NC=C1S(N)(=O)=O 8H69-1-09 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.87 NS(=O)(=O)C1=CC=CN=C1Cl 8H62-5-49 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.87 NS(=O)(=O)C1=CN=CC=C1O 8H69-1-59 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1Br 6662-D-X0 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.87 O=S(=O)(F)C1=CC=CC=C1F 6662-3-00 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1I 6664-H-02 [1,0,1,0,0,0|2,0,0]=4 49 B11R2.1 O=C1C=CC2=CC=CC=C12 2917-1-02 [2,0,0,0,0,0|2,0,0]=4 50 B11R2.1 O=C1NCC2=CC=CN=C12 4H48-1-UC [2,0,0,0,0,0|2,0,0]=4 51 B11R2.1 O=C1NNC2=CC=CC=C12 4H56-1-2V [2,0,0,0,0,0|1,0,0]=3 52 B13R1.29 CCNS(=O)(=O)C1=CC=C(Br)C=C1 8669-9-06 [0,1,1,0,0,0|1,0,1]=4 53 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 8769-1-0K [0,1,1,0,0,0|1,0,1]=4 54 B13R1.29 CCNS(=O)(=O)C1=CC=C(Cl)C=C1 8669-5-0A [0,1,1,0,0,0|1,0,1]=4 55 B13R1.30 CCNS(=O)(=O)C1=CC=CC(Br)=C1 8669-9-12 [0,1,1,0,0,0|1,0,1]=4 56 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 8669-1-0J [0,1,1,0,0,0|1,0,1]=4 57 B13R1.347 O=[N+]([O-])CS(=O)(=O)C1=CC=CC=C1 8663-1-11 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.2819 CC1=C(S(=O)(=O)N=C=O)C=CC=C1 8769-1-0P [0,1,1,0,0,0|0,0,2]=4 59 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1Br 8669-9-26 [0,1,1,0,0,0|1,0,1]=4 60 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1Cl 8669-5-03 [0,1,1,0,0,0|1,0,1]=4 61 B13R1.53 COC1=CC(C)=CC=C1S(N)(=O)=O 8769-1-0D [0,1,1,0,0,0|2,0,0]=4 62 B13R1.53 CS(=O)(=O)C1=CC=C(F)C=C1C=O 6663-3-00 [0,1,1,0,0,0|1,0,0]=3 63 B13R1.349 CC(=O)C1=CC=CC=C1S(C)(=O)=O 6663-1-22 [0,1,1,0,0,0|1,0,0]=3 64 B13R1.349 CS(=O)(=O)C1=CC=CC=C1C(=O)O 6663-1-Z1 [0,1,1,0,0,0|1,0,0]=3 65 B13R1.349 O=C(O)C1=C(S(=O)(=O)O)C=CC=C1 6664-1-X6 [0,1,1,0,0,0|1,0,0]=3 66 B13R1.2129 O=CC1=CC=CC=C1S(=O)(=O)O[Na] 6664-1-17 [0,1,1,0,0,0|1,0,0]=3 67 B13R1.2136 CS(=O)(=O)C1=C(F)C=CC=C1C=O 6663-3-54 [0,1,1,0,0,0|1,0,0]=3 68 B13R1.3090 CS(=O)(=O)C1=CC(Cl)=CC=C1C=O 6666-5-X0 [0,1,1,0,0,0|1,0,0]=3 69 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 6663-1-0E [0,1,1,0,0,0|1,0,0]=3 70 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=N1 8H63-1-39 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CN=C1 4H63-1-X1 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=NC=C1 8H63-1-40 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.165 NC(=O)C1=CC(F)=CC=C1[N+](=O)[O-] 4654-3-3S [0,1,1,0,0,0|1,0,1]=4 74 B13R2.2931 CNC1NC(=O)C2=CC=CC=C21 4H48-1-CQ [1,1,0,0,0,0|2,0,0]=4 75 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1Cl 4H48-5-BQ [1,1,0,0,0,0|1,0,0]=3 76 B13R2.4857 CC1=CC=CC2=C1C(=O)OC2=O 2H26-1-0F [1,1,0,0,0,0|2,0,0]=4 77 B13R2.5187 CC1=CC2=C(C=C1)C(=O)OC2=O 2H26-1-0K [1,1,0,0,0,0|2,0,0]=4 78 B13R2.5187 CC1=CC=C2C(=O)NC(=O)C2=C1 4H48-1-08M [1,1,0,0,0,0|1,0,0]=3 79 B13R2.5187 O=C1NC(=O)C2=CC(Cl)=CC=C12 4H48-5-GQ [1,1,0,0,0,0|1,0,0]=3 80 B13R2.5187 O=C1NC(=O)C2=CC(O)=CC=C12 4H48-1-04T [1,1,0,0,0,0|1,0,0]=3 81 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 2H26-5-00 [1,1,0,0,0,0|2,0,0]=4 82 B15R2.13973 O=C1NC2=C(C=C(F)C=C2)S(=O)(=O)N1 8H70-3-0H [0,1,0,0,0,1|0,0,0]=2 83 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 4H48-1-008 [0,0,1,1,0,0|2,0,0]=4 84 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 4H53-1-1L [0,0,1,1,0,0|2,0,0]=4 85 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 4H56-1-06Y [0,0,1,1,0,0|1,0,1]=4 86 B13R2.371 O=C1CNC(=O)C2=C1C=CC=C2 4H48-1-BX [0,0,1,1,0,0|2,0,0]=4 87 B13R2.371 O=C1NNC(=O)C2=CC=CC=C12 4H48-1-JZ [0,0,1,1,0,0|2,0,0]=4 88 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 2618-1-0B [0,0,1,0,1,0|2,0,0]=4 89 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 2629-1-T3 [0,0,1,0,1,0|1,0,1]=4 90 B13R1.622 CS(=O)(=O)NC1=CC=CC=C1C=O 8669-1-0K [0,0,1,0,0,1|1,0,0]=3 91 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 4648-1-4U [0,0,1,0,0,1|2,0,0]=4