0 B10R1.58 CC(=O)C1=CC(Br)=C(Br)O1 AT15595 [0,0,0,0,0,0|1,2,0]=3 1 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 W10228 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.58 CC1=C(Cl)N=C(C(=O)O)N1 96260 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.58 CC1=NC(C(=O)O)=CN1C AC8449 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.58 CN1C=C(C(=O)O)C=C1Br C91432 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.58 CN1N=C(C(=O)O)C=C1N AT14203 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.58 CN1N=C(C(=O)O)N=C1Cl AT12337 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 27225 [0,0,0,0,0,0|1,2,0]=3 8 B10R1.58 O=C(O)C1=NC(Br)=C(Br)N1 96278 [0,0,0,0,0,0|2,2,0]=4 9 B10R1.58 O=C(O)C1=NC(I)=C(I)N1 96280 [0,0,0,0,0,0|2,2,0]=4 10 B9R1.23 CC1=C(C)OC(C=O)=C1 F30227 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.23 CC1=C(C)OC(C=O)=N1 AT18582 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.23 O=CC1=CC(Br)=C(Br)O1 I10154 [1,0,0,0,0,0|0,2,0]=3 13 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [1,0,0,0,0,0|1,1,0]=3 16 B9R1.35 CC1=NOC(C(=O)O)=N1 72017 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.35 C[C@H](Cl)C1=CC=C(Cl)O1 55261 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.35 C[C@H](O)C1=CC=C(Cl)O1 55260 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [1,0,0,0,0,0|1,2,0]=4 22 B9R1.35 NC(=O)C1=CC(O)=NO1 C72596 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [1,0,0,0,0,0|2,1,0]=4 24 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [1,0,0,0,0,0|1,1,0]=3 26 B9R1.35 NC1=NN=C(C(=O)O)O1 D74010 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.35 NC1=NOC(C(=O)O)=C1 D78674 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [1,0,0,0,0,0|1,1,0]=3 30 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [1,0,0,0,0,0|1,1,0]=3 34 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.35 O=C(O)C1=NC(Br)=NO1 D78703 [1,0,0,0,0,0|2,1,0]=4 36 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [1,0,0,0,0,0|1,1,0]=3 37 B9R1.35 O=[N+]([O-])C1=CC=C(Cl)S1 W15255 [1,0,0,0,0,0|1,1,1]=4 38 B11R1.48 CCC1=C(Cl)N=C(C(=O)O)N1 96256 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.226 COC(=O)C1=CC(Br)=C(Br)S1 I10064 [0,1,0,0,0,0|0,3,0]=4 40 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)N1 AC8289 [0,1,0,0,0,0|1,1,0]=3 41 B11R1.226 COC(=O)C1=CC(C)=C(C)N1 F30543 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)N1 72393 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.226 COC(=O)C1=CC(N)=C(C)S1 S11695 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.226 COC(=O)C1=CC(N)=C(Cl)S1 24651 [0,1,0,0,0,0|1,1,0]=3 45 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 FD10494 [0,1,0,0,0,0|2,1,0]=4 46 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.21 CC1=NC(C(=O)O)=CNC1=O 57159 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.21 NC1=C(Cl)C=NC(C(=O)O)=C1 AT24933 [0,0,0,0,0,1|2,0,0]=3 49 B11R1.21 NC1=NC=C(C(=O)O)N=C1I P13455 [0,0,0,0,0,1|2,1,0]=4 50 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [0,0,0,0,0,1|2,1,0]=4 51 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [0,0,0,0,0,1|1,1,0]=3 52 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [0,0,0,0,0,1|2,1,0]=4 53 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 F51217 [0,0,0,0,0,1|2,1,0]=4 54 B11R1.74 CC1=CC(Br)=NC(C(=O)O)=C1 H11547 [0,0,0,0,0,1|2,1,0]=4 55 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 39217 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.74 CC1=NC(O)=CC(C(=O)O)=N1 W10241 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.74 NC(=O)C1=CC(Br)=CC(Cl)=C1 C13391 [0,0,0,0,0,1|2,1,0]=4 58 B11R1.74 NC(=O)C1=NC(Cl)=NC(N)=C1 CS1623 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.74 NC1=CC(C(=O)O)=NC(N)=N1 D76795 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 75770 [0,0,0,0,0,1|2,1,0]=4 61 B11R1.74 O=C(Cl)C1=NC(Cl)=NC(Cl)=C1 F15036 [0,0,0,0,0,1|2,0,0]=3 62 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.1 CC1=COC(CO)=C1 AT17124 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.1 N#CC1=CC=C(Cl)O1 AT17409 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.1 NCC1=CC(Cl)=CO1 50492 [2,0,0,0,0,0|1,0,1]=4 66 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [2,0,0,0,0,0|0,0,0]=2 67 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [2,0,0,0,0,0|0,1,0]=3 68 B8R1.1 O=CC1=NC(Cl)=CS1 P12467 [2,0,0,0,0,0|1,1,0]=4 69 B8R1.1 OCC1=CC(Cl)=CS1 37631 [2,0,0,0,0,0|0,1,1]=4 70 B8R1.7 CC(=O)C1=CN=CO1 F19037 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.7 NC(=S)C1=CC=CO1 F11945 [2,0,0,0,0,0|1,1,0]=4 72 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [2,0,0,0,0,0|1,0,1]=4 73 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [2,0,0,0,0,0|1,1,0]=4 74 B10R1.34 [2H]C1=C([2H])C([2H])=C(C=O)O1 D98747 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.14 CC1=CC=C(C(=O)CO)S1 AC3828 [1,1,0,0,0,0|1,1,0]=4 77 B10R1.14 CCC(=O)C1=CC=C(Br)O1 N14292 [1,1,0,0,0,0|1,1,0]=4 78 B10R1.14 COC(=O)C1=CC(N)=NO1 D78675 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.14 COC(=O)C1=CC=C(F)S1 D87046 [1,1,0,0,0,0|0,2,0]=4 80 B10R1.14 COC(=O)C1=CNC(Cl)=C1 AC6843 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.31 CC(=O)C1=CC=C(C#N)O1 AT17433 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.31 CNC1=NC=C(C(=O)O)O1 AT18685 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.31 CSC1=CC=C(C(=O)O)O1 AT17280 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.31 NCC1=CC=C(C(=O)O)O1 AT17184 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.31 NCC1=CC=C(C(=O)O)S1 AT24853 [1,1,0,0,0,0|1,1,0]=4 88 B10R1.31 O=CC1=CNC(C(=O)O)=C1 I11670 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.31 O=CC1=CSC(C(=O)O)=C1 AT16396 [1,1,0,0,0,0|1,1,0]=4 90 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [1,1,0,0,0,0|1,1,0]=4 92 B10R1.59 NC1=C(C(=O)O)SC(Br)=C1 58229 [1,1,0,0,0,0|0,2,0]=4 93 B10R1.194 CC1=COC(C(=O)O)=C1C AT17164 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.194 CC1=CSC(C(=O)O)=C1Br AT11772 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.194 CN1C(C(=O)O)=CN=C1Cl AT20498 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.194 NC1=C(C(=O)O)SC=C1Br N16943 [1,1,0,0,0,0|0,2,0]=4 97 B12R1.232 CC1=CC(Cl)=C(Br)C=C1C(=O)O W19669 [0,1,0,0,0,1|1,1,0]=4 98 B12R1.232 CC1=CC(Cl)=C(I)C=C1C(=O)O AT12520 [0,1,0,0,0,1|1,1,0]=4 99 B12R1.232 NC(=O)C1=C(N)N=C(Cl)C(Cl)=N1 N13377 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.232 NC1=C(Cl)C=C(C(=O)O)C(O)=C1 AC5568 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.232 NC1=NC(Cl)=C(C(=O)O)N=C1Cl 73414 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.232 O=C(O)C1=C(I)C=C(Br)C(Cl)=C1 70146 [0,1,0,0,0,1|1,1,0]=4 103 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl F53436 [0,1,0,0,0,1|1,1,0]=4 104 B12R1.367 COC(=O)C1=CC(Cl)=C(O)N=C1 AT11135 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.367 N\C(=N\O)C1=CC(Cl)=C(Cl)C=C1 92967 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 AC2976 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.367 O=C(CO)C1=CC(Cl)=C(F)C=C1 AC4023 [0,1,0,0,0,1|1,1,0]=4 108 B12R1.893 CC1=CC=C(C(=O)O)C(C)=C1Cl D86545 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1F 53899 [0,1,0,0,0,1|1,1,0]=4 110 B12R1.893 O=C(O)C1=CC=C(Cl)C(Cl)=C1F D86538 [0,1,0,0,0,1|1,0,0]=3 111 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Br 93548 [0,1,0,0,0,1|1,1,0]=4 112 B12R1.893 O=C(O)C1=CN=C(Cl)C(Cl)=C1Cl 85642 [0,1,0,0,0,1|1,0,0]=3 113 B12R1.11 COC1=NC(C(=O)O)=CC(Cl)=N1 97025 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.11 O=C(O)C1=CC(CO)=CC(Cl)=C1 AC4463 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=N1 91473 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.358 COC(=O)C1=CC(Cl)=NC(N)=N1 F53473 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.358 N\C(=N/O)C1=CC(Cl)=CC(Cl)=C1 93021 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.511 CC(=O)C1=CC(Cl)=CC(Cl)=C1F 34134 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.511 CC1=C(Cl)C=C(I)C=C1C(=O)O AT12521 [0,1,0,0,0,1|1,1,0]=4 120 B12R1.511 CC1=C(F)C=C(Cl)C=C1C(=O)O AT24794 [0,1,0,0,0,1|1,1,0]=4 121 B12R1.511 CC1=CC(Cl)=C(N)C(C(=O)O)=C1 TD1011 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.511 NC(=O)C1=C(N)C(Cl)=NC(Cl)=C1 W18198 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.511 NC(=O)C1=NC(Cl)=NC(Cl)=C1F AC1504 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.511 NC1=C(Cl)C=C(Br)C=C1C(=O)O 79862 [0,1,0,0,0,1|1,1,0]=4 125 B12R1.511 O=C(O)C1=CC(Cl)=CC(Cl)=C1F 35054 [0,1,0,0,0,1|1,0,0]=3 126 B12R1.63 COC(=O)C1=CC(CO)=C(C)O1 D76874 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.111 O=C(O)C1=CC([N+](=O)[O-])=C(Cl)S1 24653 [0,2,0,0,0,0|1,1,0]=4 128 B12R1.314 CCOC(=O)C1=CC(Cl)=C(Cl)S1 F11927 [0,2,0,0,0,0|0,1,0]=3 129 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 C77358 [1,0,0,0,0,1|2,0,0]=4 130 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 39265 [1,0,0,0,0,1|1,1,0]=4 131 B12R1.19 CC1=C(Cl)C=CC(CC(=O)O)=C1 D96291 [0,0,0,0,0,2|2,0,0]=4 132 B12R1.19 CC1=CC(CC(=O)O)=CN=C1Cl 97211 [0,0,0,0,0,2|2,0,0]=4 133 B12R1.19 O=C(O)CC1=CN=C(Cl)C(F)=C1 97208 [0,0,0,0,0,2|1,1,0]=4