0 B12R1.121 COC1=C(CN=C=O)C=CC=C1 104480 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.121 COC1=C(SCC#N)C=CC=C1 097669 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.121 COC1=C(SCCO)C=CC=C1 019395 [0,0,0,0,0,0|1,0,3]=4 3 B12R1.121 COC1=CC=CC=C1CN=C=S 008996 [0,0,0,0,0,0|1,1,2]=4 4 B12R1.121 COC1=CC=CC=C1OCCN 036459 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.41 CCC1=C(N=C=O)C=CC=C1 046947 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.41 CCOC1=CC=CC=C1OC 329273 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.41 COC1=C(CC#N)C=CC=C1 358258 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.41 COC1=C(N=C=O)C=CC=C1 046951 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.41 COC1=C(N=C=S)C=CC=C1 001276 [1,0,0,0,0,0|1,1,1]=4 10 B11R1.41 COC1=CC=CC=C1CCN 040168 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.41 CSC1=CC=CC=C1N=C=O 098606 [1,0,0,0,0,0|1,1,1]=4 12 B13R1.90 COC1=C(OCC(N)=O)C=CC=C1 403356 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.90 COC1=C(\C=C\C(=O)O)C=CC=C1 103441 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.90 COC1=C(\C=C\[N+](=O)[O-])C=CC=C1 018794 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.90 COC1=CC=CC=C1CCC(=O)O 018801 [0,1,0,0,0,0|0,0,2]=3 16 B13R1.91 COC(=O)CC1=C(OC)C=CC=C1 101663 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.91 COC1=CC=CC=C1NC(=O)CCl 039342 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.91 COC1=CC=CC=C1NC(=S)NN 018806 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 009010 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.32 CC1=CC=C2C=CC=CC2=C1Br 321883 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.32 CC1=CC=C2C=CC=CC2=C1O 078657 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.32 NC1=C2C=CC=CC2=CC=C1Br 318213 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.32 NC1=C2C=CC=CC2=CC=C1O 079515 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br 093063 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br 079704 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.45 CC1=C(C=O)SC2=CC=CC=C21 023325 [0,0,0,1,0,0|2,0,0]=3 27 B13R2.45 CN1C(C=O)=CC2=CC=CC=C21 065313 [0,0,0,1,0,0|1,0,0]=2 28 B13R2.45 CN1C2=CC=CC=C2N=C1C=O 065315 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 209194 [0,0,0,1,0,0|1,0,1]=3 30 B13R2.1613 BrCC1=C2C=CC=CC2=CC=C1 091837 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.1613 COC1=C2C=CC=CC2=CC=C1 227723 [0,0,0,1,0,0|1,0,0]=2 32 B13R2.1613 ClCC1=C2C=CC=CC2=CC=C1 224633 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.1613 NCC1=C2C=CC=CC2=CC=C1 092602 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 065345 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 209238 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [2,0,0,0,0,0|0,0,1]=3 37 B10R1.4 CC1=C(N=C=O)C=CC=C1 403155 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.4 CC1=CC=CC=C1NC=O 180097 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.4 O=CNC1=C(Br)C=CC=C1 530777 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.17 O=CC#CC1=CC=CC=C1 079303 [2,0,0,0,0,0|0,0,2]=4 42 B10R1.17 O=CCCC1=CC=CC=C1 237467 [2,0,0,0,0,0|0,0,2]=4 43 B10R1.17 O=COCC1=CC=CC=C1 240742 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [2,0,0,0,0,0|0,0,0]=2 45 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [2,0,0,0,0,0|0,0,0]=2 46 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [2,0,0,0,0,0|0,0,2]=4 47 B10R1.20 C=CC1=CC=CC=C1C=C 245965 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.20 CCC1=CC=CC=C1C=O 092103 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.20 CNC1=C(OC)C=CC=C1 009652 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.20 COC1=C(CN)C=CC=C1 008875 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.20 COC1=C(CO)C=CC=C1 033710 [2,0,0,0,0,0|0,0,2]=4 52 B10R1.20 COC1=C(SC)C=CC=C1 008048 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.20 COC1=CC=CC=C1C#N 033909 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.20 COC1=CC=CC=C1C=O 242823 [2,0,0,0,0,0|0,0,0]=2 55 B10R1.20 COC1=CC=CC=C1CN 079872 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.20 COC1=CC=CC=C1OC 079036 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.20 CSC1=C(C=O)C=CC=C1 103584 [2,0,0,0,0,0|0,1,0]=3 58 B10R1.20 N#CC1=CC=CC=C1C=O 078559 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.20 O=CC1=C(C=O)C=CC=C1 037868 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 105772 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.125 CC1=CC=CC=C1CCC(=O)O 018855 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 340690 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.125 NC(=O)\C=C\C1=C(F)C=CC=C1 102686 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F 014739 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 103444 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 001107 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 001440 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [1,1,0,0,0,0|0,0,0]=2 70 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 006305 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl 241709 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.75 COC1=C(NC(N)=O)C=CC=C1 435972 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 018704 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.75 COC1=CC=CC=C1CC(=O)O 078960 [1,1,0,0,0,0|0,0,1]=3 75 B12R1.75 COC1=CC=CC=C1NC(N)=S 018808 [1,1,0,0,0,0|1,1,0]=4 76 B12R1.77 COC(=O)C1=CC=CC=C1OC 216574 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 018068 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.77 COC1=CC=CC=C1C(=O)NN 018769 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.268 COC1=C(N=C=O)C=C(C)C=C1 365577 [1,1,0,0,0,0|1,0,1]=4 80 B14R1.1600 COC1=CC(C)=CC=C1OCC(=O)O 039005 [0,2,0,0,0,0|1,0,1]=4 81 B14R1.863 CNC(=O)COC1=C(OC)C=CC=C1 106323 [0,2,0,0,0,0|1,0,1]=4 82 B14R1.863 COC(=O)COC1=CC=CC=C1OC 246464 [0,2,0,0,0,0|1,0,1]=4 83 B14R1.1865 COC1=CC=C(Br)C=C1\C=C\C(=O)O 011098 [0,2,0,0,0,0|0,0,0]=2 84 B14R1.4522 O=C(O)\C=C\C1=CC=CC=C1[N+](=O)[O-] 242629 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.435 COC(=O)C1=CC=CC(C=O)=C1 078656 [0,0,1,1,0,0|1,0,0]=3 86 B12R1.450 COC1=C(C)C=C(C=O)C(C)=C1 209371 [0,0,1,1,0,0|0,0,2]=4 87 B12R1.450 COC1=C(F)C=C(C=O)C(F)=C1 045013 [0,0,1,1,0,0|2,0,0]=4 88 B12R1.450 COC1=C(O)C=C(C=O)C(Br)=C1 013447 [0,0,1,1,0,0|2,0,0]=4 89 B12R1.78 COC1=CC=C(C=O)C(C#N)=C1 077847 [0,0,1,1,0,0|1,0,1]=4 90 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 092223 [0,0,1,1,0,0|1,0,1]=4 91 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 077976 [1,0,0,1,0,0|1,0,1]=4 92 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 076108 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 238872 [1,0,0,1,0,0|1,0,1]=4 96 B12R2.24 NC1=CC=C2C=CC=CC2=C1 079046 [1,0,0,1,0,0|1,0,1]=4 97 B12R2.24 NC1=NC2=CC=CC=C2C=C1 105400 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [1,0,0,1,0,0|1,0,1]=4 99 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [1,0,0,1,0,0|1,0,0]=3 100 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [1,0,0,1,0,0|0,0,0]=2 101 B12R2.24 O=C1C=NC2=CC=CC=C2N1 042360 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 012252 [1,0,0,1,0,0|0,0,2]=4 103 B12R2.24 O=C1CCC2=CC=CC=C2O1 236946 [1,0,0,1,0,0|0,0,2]=4 104 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [1,0,0,1,0,0|0,0,2]=4 105 B12R2.24 SC1=CC=C2C=CC=CC2=C1 227409 [1,0,0,1,0,0|0,1,1]=4 106 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 013717 [1,0,0,1,0,0|0,1,0]=3 107 B12R2.32 O=CC1=CC2=CC=CC=C2O1 036892 [1,0,0,1,0,0|0,0,0]=2 108 B12R2.32 O=CC1=CN2C=CC=CC2=N1 046410 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 033756 [1,0,0,1,0,0|1,1,0]=4 110 B12R2.196 CC1=C2ONC(=O)C2=CC=C1 220501 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.196 O=C1CCC2=C1C=CC=C2O 013597 [1,0,0,1,0,0|0,0,2]=4 112 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 222044 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 048864 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 001208 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.1081 CC1=CC=CC2=CC=CC=C12 099064 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.1081 CC1=CC=NC2=CC=CC=C12 079132 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 092866 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.1081 FC1=CC=CC2=CC=CC=C12 002697 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.1081 IC1=CC=CC2=CC=CC=C12 005439 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 216423 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.1081 NC1=CC=CC2=NC=CC=C12 048215 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 208940 [1,0,0,1,0,0|1,0,0]=3 123 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 076698 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 093034 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 099744 [1,0,0,1,0,0|2,0,0]=4 126 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 076330 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.1081 OC1=CC=NC2=CC=CC=C12 050335 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 093707 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.1 O=CC1=CNC2=C1C=CC=C2 036402 [1,0,0,1,0,0|1,0,1]=4 130 B12R2.1 O=CC1=CSC2=CC=CC=C12 065306 [1,0,0,1,0,0|0,1,1]=4 131 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 078998 [1,0,0,1,0,0|1,0,1]=4 132 B12R2.315 CCC1=CC=CC2=C1NC=C2 050046 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.315 COC1=C2NC=CC2=CC=C1 023388 [1,0,0,1,0,0|1,0,0]=3 134 B12R2.315 COC1=CC=CC2=C1NN=C2 225680 [1,0,0,1,0,0|2,0,0]=4 135 B14R2.92 C(=O)C1=COC2=CC=CC=C2C1=O 003431 [0,1,0,1,0,0|0,0,1]=3 136 B14R2.450 CC1=C(C(=O)Cl)OC2=CC=CC=C21 013630 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 018818 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.450 CC1=C(C(=O)[O-])OC2=CC=CC=C21 022117 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 077339 [0,1,0,1,0,0|1,0,0]=3 140 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 432360 [0,1,0,1,0,0|1,0,1]=4 141 B14R2.781 NC(=O)C1=CC=C2C=CC=CC2=C1 321834 [0,1,0,1,0,0|1,0,1]=4 142 B14R2.781 O=C(Cl)C1=CC=C2C=CC=CC2=C1 386708 [0,1,0,1,0,0|1,0,1]=4 143 B14R2.781 O=C(Cl)C1COC2=CC=CC=C2O1 017521 [0,1,0,1,0,0|1,0,1]=4 144 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 066331 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 066337 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 036134 [0,1,0,1,0,0|1,0,1]=4 147 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 092221 [0,1,0,1,0,0|1,0,1]=4 148 B14R2.781 [C@H]1(C(=O)O)COC2=CC=CC=C2O1 049582 [0,1,0,1,0,0|1,0,1]=4 149 B14R2.1073 COC1=C2CCC(=O)CC2=CC=C1 069097 [0,1,0,1,0,0|0,0,2]=4 150 B14R2.11645 CCC1=CC=CC2=C1NC(=O)C2=O 033104 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 024761 [0,1,0,1,0,0|2,0,0]=4 152 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C21 242808 [0,1,0,1,0,0|2,0,0]=4 153 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl 012246 [0,1,0,1,0,0|1,0,1]=4 154 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 079037 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.31359 CC(N)C1=C2C=CC=CC2=CC=C1 219511 [0,1,0,1,0,0|2,0,0]=4 156 B14R2.31359 CC(O)C1=C2C=CC=CC2=CC=C1 303344 [0,1,0,1,0,0|2,0,0]=4 157 B14R2.31359 CN(C)C1=CC=CC2=CC=CC=C21 003644 [0,1,0,1,0,0|2,0,0]=4 158 B14R2.31359 C[C@@H](N)C1=C2C=CC=CC2=CC=C1 046443 [0,1,0,1,0,0|2,0,0]=4 159 B14R2.31359 C[C@H](N)C1=C2C=CC=CC2=CC=C1 046444 [0,1,0,1,0,0|2,0,0]=4 160 B14R3.164 C1=CC2=CC=CC3=C2C(=C1)CC3 995212 [0,0,0,2,0,0|2,0,0]=4