0 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 040728 [0,0,0,0,0,0|1,1,1]=3 1 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O 036369 [0,0,0,0,0,0|1,1,1]=3 2 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 010208 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 078998 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 180299 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 060374 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 030161 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 077309 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 016126 [1,0,0,0,0,0|1,1,0]=3 10 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 049868 [0,1,0,0,0,0|2,0,1]=4 11 B14R2.11645 CCC1=CC=CC2=C1NC(=O)C2=O 033104 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.225 CC1=CC(C(O)C(=O)O)=CC=C1 019269 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.225 O=C(O)C(O)C1=CC(O)=CC=C1 436900 [0,0,1,0,0,0|3,0,0]=4 14 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 222415 [0,0,1,0,0,0|2,1,0]=4 15 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 307069 [0,0,1,0,0,0|2,1,0]=4 16 B12R1.371 CC1=CC=CC=C1NC(=O)CCl 026033 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.371 CNC(=O)CC1=C(C)C=CC=C1 102549 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 043032 [0,0,1,0,0,0|3,0,0]=4 19 B12R1.371 NNC(=S)NC1=C(Cl)C=CC=C1 018444 [0,0,1,0,0,0|1,2,0]=4 20 B12R1.371 NNC(=S)NC1=C(F)C=CC=C1 009239 [0,0,1,0,0,0|1,1,0]=3 21 B12R1.371 O=C(CCl)NC1=CC=CC=C1Cl 365264 [0,0,1,0,0,0|2,1,0]=4 22 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 035945 [1,0,1,0,0,0|1,0,1]=4 23 B11R1.159 CC1=C(F)C=CC=C1C(=O)O 037153 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.159 CC1=CC=CC(C(=O)O)=C1N 023905 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.159 NC1=C(Br)C=CC=C1C(=O)O 040654 [1,0,1,0,0,0|1,1,0]=4 26 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 040187 [1,0,1,0,0,0|1,0,0]=3 27 B11R1.159 NC1=C(Cl)C=CC=C1C(=O)O 077502 [1,0,1,0,0,0|1,1,0]=4 28 B11R1.159 NC1=C(F)C=CC=C1[N+](=O)[O-] 064680 [1,0,1,0,0,0|0,0,2]=4 29 B11R1.159 NC1=C(I)C=CC=C1C(=O)O 091956 [1,0,1,0,0,0|1,1,0]=4 30 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 077960 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 329962 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 005469 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 005185 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 001858 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 013028 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 154800 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 018765 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 068259 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 093723 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 046847 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 093732 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 103518 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 037377 [1,0,1,0,0,0|1,1,0]=4 44 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 094704 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 006174 [1,0,1,0,0,0|1,0,0]=3 46 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 118101 [1,0,1,0,0,0|1,1,0]=4 47 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 079660 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 003917 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.157 CC1=CC(NC(N)=O)=CC=C1 018864 [1,0,1,0,0,0|1,0,0]=3 50 B11R1.157 CC1=CC(NC(N)=S)=CC=C1 018862 [1,0,1,0,0,0|1,1,0]=4 51 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 325398 [1,0,1,0,0,0|1,1,0]=4 52 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 047554 [1,0,1,0,0,0|1,1,0]=4 53 B11R1.157 NC(=O)NC1=CC(Br)=CC=C1 068039 [1,0,1,0,0,0|0,1,0]=3 54 B11R1.157 NC(=S)NC1=CC(Cl)=CC=C1 018448 [1,0,1,0,0,0|0,2,0]=4 55 B11R1.157 NC(=S)NC1=CC(F)=CC=C1 006348 [1,0,1,0,0,0|0,1,0]=3 56 B11R1.157 NC(=S)NC1=CC=CC(Br)=C1 018318 [1,0,1,0,0,0|0,2,0]=4 57 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 038272 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 001293 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.40 C=CC(=O)NC1=CC=CC=C1 320028 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [1,0,1,0,0,0|1,0,0]=3 62 B11R1.40 CNC(=O)OC1=CC=CC=C1 104150 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.40 CNC(=S)NC1=CC=CC=C1 018860 [1,0,1,0,0,0|1,1,0]=4 64 B11R1.40 NNC(=O)NC1=CC=CC=C1 358181 [1,0,1,0,0,0|1,0,0]=3 65 B11R1.40 NNC(=S)NC1=CC=CC=C1 011215 [1,0,1,0,0,0|1,1,0]=4 66 B11R1.40 O=C(CBr)NC1=CC=CC=C1 080331 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [1,0,1,0,0,0|1,0,0]=3 68 B11R1.40 O=C(CCl)NC1=CC=CC=C1 307343 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 006173 [1,0,1,0,0,0|1,0,0]=3 70 B11R1.86 CC(=O)NC1=CC=CC=C1O 242846 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 001393 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 357821 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.86 CC1=CC=CC=C1NC(N)=S 018861 [1,0,1,0,0,0|1,1,0]=4 74 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 357832 [1,0,1,0,0,0|1,1,0]=4 75 B11R1.86 NC(=O)CC1=C(F)C=CC=C1 357591 [1,0,1,0,0,0|1,0,0]=3 76 B11R1.86 NC(=O)CC1=CC=CC=C1Br 323620 [1,0,1,0,0,0|1,1,0]=4 77 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 018450 [1,0,1,0,0,0|0,1,0]=3 78 B11R1.86 NC(=O)NC1=CC=CC=C1Br 233581 [1,0,1,0,0,0|0,1,0]=3 79 B11R1.86 NC(=O)NC1=CC=CC=C1F 340791 [1,0,1,0,0,0|0,0,0]=2 80 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 018447 [1,0,1,0,0,0|0,2,0]=4 81 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 009242 [1,0,1,0,0,0|0,1,0]=3 82 B11R1.86 O=C(Cl)CC1=CC=CC=C1F 038271 [1,0,1,0,0,0|2,0,0]=4 83 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 001133 [1,0,1,0,0,0|1,1,0]=4 84 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 046145 [1,0,1,0,0,0|1,1,0]=4 85 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 001292 [1,0,1,0,0,0|1,0,0]=3 86 B11R1.86 O=C(O)CC1=CC=CC=C1I 079511 [1,0,1,0,0,0|1,1,0]=4 87 B11R1.86 O=C(O)CC1=CC=CC=C1O 044950 [1,0,1,0,0,0|2,0,0]=4 88 B11R1.265 COC1=C(C=O)C(F)=CC=C1 013017 [1,0,1,0,0,0|2,0,0]=4 89 B11R1.605 C(=O)NC1=C(C)C=CC=C1C 342033 [1,0,1,0,0,0|2,0,0]=4 90 B11R2.1 CC1=CNC2=CC=CC=C12 068788 [2,0,0,0,0,0|2,0,0]=4 91 B11R2.1 CN1C=CC2=C1C=CC=C2 208790 [2,0,0,0,0,0|2,0,0]=4 92 B11R2.1 CN1C=NC2=CC=CC=C21 222302 [2,0,0,0,0,0|1,0,1]=4 93 B11R2.1 ON1N=NC2=C1C=CC=C2 M02875 [2,0,0,0,0,0|1,0,1]=4 94 B11R2.1 ON1N=NC2=CC=CC=C21 317839 [2,0,0,0,0,0|1,0,1]=4 95 B11R2.10 CC1=CC2=CC=CC=C2N1 003402 [2,0,0,0,0,0|2,0,0]=4 96 B11R2.10 CC1=NC2=CC=CC=C2N1 002989 [2,0,0,0,0,0|1,0,1]=4 97 B11R2.10 ClC1=NC2=CC=CC=C2N1 010656 [2,0,0,0,0,0|1,0,1]=4 98 B11R2.10 NC1=NC2=CC=CC=C2N1 064965 [2,0,0,0,0,0|1,0,1]=4 99 B11R2.10 O=C1CC2=C(C=CC=C2)C1 045209 [2,0,0,0,0,0|2,0,0]=4 100 B11R2.10 O=C1CC2=C(C=CC=C2)N1 093498 [2,0,0,0,0,0|1,0,0]=3 101 B11R2.10 O=C1CC2=CC=CC=C2O1 208814 [2,0,0,0,0,0|2,0,0]=4 102 B11R2.10 O=C1CC2=CC=CN=C2N1 079352 [2,0,0,0,0,0|2,0,0]=4 103 B11R2.10 O=C1NC2=CC=CC=C2O1 077983 [2,0,0,0,0,0|1,0,0]=3 104 B11R2.10 O=C1NC2=CC=CC=C2S1 009676 [2,0,0,0,0,0|1,0,0]=3 105 B11R2.10 OC1=NC2=CC=CC=C2N1 002990 [2,0,0,0,0,0|0,0,2]=4 106 B11R2.10 S=C1NC2=CC=CC=C2S1 362022 [2,0,0,0,0,0|1,1,0]=4 107 B11R2.10 SC1=NC2=CC=CC=C2N1 068818 [2,0,0,0,0,0|0,1,1]=4 108 B11R2.106 BrC1=C2C=CNC2=CC=C1 023567 [2,0,0,0,0,0|1,1,0]=4 109 B11R2.106 BrC1=C2NC=CC2=CC=C1 011592 [2,0,0,0,0,0|1,1,0]=4 110 B11R2.106 CC1=C2NC=CC2=CC=C1 023374 [2,0,0,0,0,0|2,0,0]=4 111 B11R2.106 CC1=CC=CC2=C1C=CN2 016242 [2,0,0,0,0,0|2,0,0]=4 112 B11R2.106 ClC1=C2NC=CC2=CC=C1 040176 [2,0,0,0,0,0|1,1,0]=4 113 B11R2.106 ClC1=CC=CC2=C1C=CN2 016227 [2,0,0,0,0,0|1,1,0]=4 114 B11R2.106 FC1=C2C=CNC2=CC=C1 005409 [2,0,0,0,0,0|1,0,0]=3 115 B11R2.106 FC1=C2C=NNC2=CC=C1 067588 [2,0,0,0,0,0|2,0,0]=4 116 B11R2.106 FC1=C2NC=CC2=CC=C1 005411 [2,0,0,0,0,0|1,0,0]=3 117 B11R2.106 NC1=C2C=CNC2=CC=C1 023427 [2,0,0,0,0,0|2,0,0]=4 118 B11R2.106 NC1=C2NC=CC2=CC=C1 032501 [2,0,0,0,0,0|2,0,0]=4 119 B11R2.106 OC1=CC=CC2=C1C=CN2 016235 [2,0,0,0,0,0|2,0,0]=4 120 B11R2.106 OC1=CC=CC2=C1NC=C2 016159 [2,0,0,0,0,0|2,0,0]=4 121 B13R1.3768 O=C(O)C(O)C1=C(F)C(F)=CC=C1 004821 [0,1,1,0,0,0|2,0,0]=4 122 B13R1.510 O=C(O)C(O)C1=CC=C(F)C(F)=C1 005212 [0,1,1,0,0,0|2,0,0]=4 123 B13R1.897 O=C(O)C(O)C1=C(F)C=CC(F)=C1 004823 [0,1,1,0,0,0|2,0,0]=4 124 B13R1.3423 O=C(O)C(O)C1=CC(F)=CC(F)=C1 004826 [0,1,1,0,0,0|2,0,0]=4 125 B13R1.2679 CNC(=O)CC1=C(F)C=C(F)C=C1 102448 [0,1,1,0,0,0|2,0,0]=4 126 B13R1.2679 NNC(=S)NC1=C(F)C=C(F)C=C1 009147 [0,1,1,0,0,0|1,1,0]=4 127 B13R1.2679 O=C(CCl)NC1=CC=C(F)C=C1F 008219 [0,1,1,0,0,0|2,0,0]=4 128 B13R2.45 CN1C(C=O)=CC2=CC=CC=C21 065313 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.45 CN1C2=CC=CC=C2N=C1C=O 065315 [1,1,0,0,0,0|1,0,1]=4 130 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O 336656 [1,1,0,0,0,0|1,0,0]=3 131 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O 093452 [1,1,0,0,0,0|1,0,1]=4 132 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 060624 [1,1,0,0,0,0|1,0,1]=4 133 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 001745 [1,1,0,0,0,0|1,0,1]=4 134 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 008155 [1,1,0,0,0,0|1,0,1]=4 135 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 013160 [1,1,0,0,0,0|1,0,1]=4 136 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 011197 [1,1,0,0,0,0|1,0,1]=4 137 B13R2.3085 O=C1C(=O)N(Cl)C2=C1C=CC=C2 069843 [1,1,0,0,0,0|1,0,1]=4 138 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 049137 [1,1,0,0,0,0|1,0,1]=4 139 B13R2.5190 O=C1NC2=C(C=CC(Cl)=C2)C1=O 040367 [1,1,0,0,0,0|1,0,1]=4 140 B13R2.5397 O=C1CC2=CC(Br)=CC(Br)=C2N1 047321 [1,1,0,0,0,0|1,1,0]=4 141 B13R2.5397 O=C1CC2=CC(F)=CC(F)=C2N1 010572 [1,1,0,0,0,0|1,0,0]=3 142 B13R1.528 O=C(CCl)NCC1=C(F)C=CC=C1 059757 [0,0,1,0,0,1|2,0,0]=4 143 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 209309 [1,0,0,0,0,1|2,0,0]=4 144 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 076838 [1,0,0,0,0,1|1,0,1]=4 145 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 091215 [1,0,0,0,0,1|1,0,1]=4