0 B13R2.369 CC1=C(Cl)N=C2C=CC=CC2=N1 040338 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1=CC2=CC=CC=C2C=[N+]1C 182243 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1O 237570 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.369 ClC1=C(Cl)N=C2C=CC=CC2=N1 049506 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N 236796 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O 092678 [0,0,0,0,0,0|1,0,1]=2 6 B13R2.369 OC1=C(O)C=C2C=CC=CC2=C1 209264 [0,0,0,0,0,0|1,0,1]=2 7 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 044937 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.24 BrC1=CC2=C(C=CN=C2)C=C1 038558 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 077976 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 076676 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 036991 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 067503 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 076108 [1,0,0,0,0,0|1,0,1]=3 14 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 077574 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 208923 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.24 CC1=NC2=CC=CC=C2N=C1 303297 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.24 CC1=NC2=NC=CC=C2C=C1 208943 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 049700 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 067518 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 238872 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.24 NC1=CC2=CC=CC=C2N=C1 064971 [1,0,0,0,0,0|1,0,1]=3 24 B12R2.24 NC1=CC2=CC=CN=C2C=C1 045222 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 NC1=CC=C2C=CC=CC2=C1 079046 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 NC1=CC=C2C=NC=CC2=C1 036790 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 NC1=NC2=CC=CC=C2C=C1 105400 [1,0,0,0,0,0|1,0,1]=3 28 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [1,0,0,0,0,0|0,0,0]=1 30 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [1,0,0,0,0,0|1,0,0]=2 31 B12R2.24 O=C1C=NC2=CC=CC=C2N1 042360 [1,0,0,0,0,0|1,0,0]=2 32 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 012252 [1,0,0,0,0,0|1,0,2]=4 33 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [1,0,0,0,0,0|0,0,2]=3 34 B12R2.24 O=C1CCC2=CC=CC=C2O1 236946 [1,0,0,0,0,0|1,0,2]=4 35 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [1,0,0,0,0,0|1,0,1]=3 36 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [1,0,0,0,0,0|1,0,1]=3 37 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [1,0,0,0,0,0|1,0,1]=3 38 B12R2.24 OC1=CC2=CC=CC=C2N=C1 076701 [1,0,0,0,0,0|0,0,1]=2 39 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [1,0,0,0,0,0|1,0,0]=2 40 B12R2.24 OC1=CC=C2C=CC=NC2=C1 076325 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.24 OC1=CC=C2C=CN=CC2=C1 068840 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.24 OC1=CC=C2N=CC=CC2=C1 076700 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.24 SC1=CC=C2C=CC=CC2=C1 227409 [1,0,0,0,0,0|1,1,0]=3 44 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl 012246 [0,1,0,0,0,0|1,0,2]=4 45 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 209321 [0,0,1,0,0,0|2,0,1]=4 46 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [0,0,1,0,0,0|2,0,0]=3 47 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 M02966 [0,0,1,0,0,0|1,0,2]=4 48 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 433344 [0,0,1,0,0,0|1,0,2]=4 49 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 003388 [0,0,1,0,0,0|1,0,2]=4 50 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 013693 [0,0,1,0,0,0|1,0,2]=4 51 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O 222744 [0,0,1,0,0,0|1,0,2]=4 52 B12R1.371 CC1=CC=CC=C1NC(=O)CCl 026033 [0,0,1,0,0,0|1,0,2]=4 53 B12R1.371 O=C(CCl)NC1=CC=CC=C1Cl 365264 [0,0,1,0,0,0|2,0,1]=4 54 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [0,0,0,0,1,0|2,0,0]=3 55 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 078998 [0,0,0,0,1,0|3,0,0]=4 56 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 077309 [0,0,0,0,1,0|0,0,1]=2 57 B14R2.741 CC1CNC2=C(C=CC=C2)NC1=O 026245 [0,0,0,0,0,1|1,0,2]=4 58 B11R1.40 C=CC(=O)NC1=CC=CC=C1 320028 [1,0,1,0,0,0|0,0,0]=2 59 B11R1.40 C=CC(=O)OC1=CC=CC=C1 461814 [1,0,1,0,0,0|1,0,0]=3 60 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [1,0,1,0,0,0|1,0,1]=4 61 B11R1.40 NNC(=O)NC1=CC=CC=C1 358181 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.40 O=C(CBr)NC1=CC=CC=C1 080331 [1,0,1,0,0,0|1,0,1]=4 63 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.40 O=C(CCl)NC1=CC=CC=C1 307343 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 321306 [1,0,1,0,0,0|1,0,0]=3 66 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [1,0,1,0,0,0|1,0,0]=3 67 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [1,0,1,0,0,0|1,0,0]=3 68 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [1,0,1,0,0,0|0,0,2]=4 69 B11R1.91 NC(=O)COC1=CC=CC=C1 001028 [1,0,1,0,0,0|1,0,1]=4 70 B11R1.91 NC(=O)NCC1=CC=CC=C1 243198 [1,0,1,0,0,0|1,0,1]=4 71 B11R1.91 NC(=O)OCC1=CC=CC=C1 209067 [1,0,1,0,0,0|1,0,1]=4 72 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [1,0,1,0,0,0|0,0,0]=2 73 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 099114 [1,0,1,0,0,0|1,0,0]=3 74 B11R1.91 O=C(O)CNC1=CC=CC=C1 011837 [1,0,1,0,0,0|1,0,1]=4 75 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 209013 [1,0,1,0,0,0|1,0,0]=3 76 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 003424 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 009848 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 009847 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.91 O=C(O)\C=C\c1ccccc1 195963 [1,0,1,0,0,0|1,0,0]=3 80 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 239114 [1,0,1,0,0,0|2,0,0]=4 81 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 006173 [1,0,1,0,0,0|1,0,1]=4 82 B11R1.86 CC(=O)NC1=CC=CC=C1O 242846 [1,0,1,0,0,0|1,0,1]=4 83 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 001393 [1,0,1,0,0,0|1,0,1]=4 84 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 018450 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.86 NC(=O)NC1=CC=CC=C1Br 233581 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.86 NC(=O)NC1=CC=CC=C1F 340791 [1,0,1,0,0,0|2,0,0]=4 87 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 001133 [1,0,1,0,0,0|1,0,1]=4 88 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 046145 [1,0,1,0,0,0|1,0,1]=4 89 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 001292 [1,0,1,0,0,0|1,0,1]=4 90 B11R1.86 O=C(O)CC1=CC=CC=C1I 079511 [1,0,1,0,0,0|1,0,1]=4 91 B11R1.86 O=C(O)CC1=CC=CC=C1O 044950 [1,0,1,0,0,0|1,0,1]=4 92 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 227722 [2,0,0,0,0,0|2,0,0]=4 93 B11R2.20 C1=CC2=CN=CN=C2C=C1 078701 [2,0,0,0,0,0|1,0,1]=4 94 B11R2.20 C1=CC=C2C=CC=CC2=C1 240561 [2,0,0,0,0,0|1,0,0]=3 95 B11R2.20 C1=CC=C2N=CC=CC2=C1 104868 [2,0,0,0,0,0|0,0,1]=3 96 B11R2.20 C1=CC=C2N=CC=CC2=C1 227698 [2,0,0,0,0,0|0,0,1]=3 97 B11R2.20 C1=CC=C2N=CC=NC2=C1 079216 [2,0,0,0,0,0|1,0,1]=4 98 B11R2.20 C1=CN=C2N=CC=CC2=C1 077859 [2,0,0,0,0,0|1,0,1]=4 99 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 013604 [0,1,1,0,0,0|2,0,0]=4 100 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O 103703 [0,1,1,0,0,0|2,0,0]=4 101 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 009010 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.32 CC1=CC=C2C=CC=CC2=C1Br 321883 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.32 CC1=CC=C2C=CC=CC2=C1O 078657 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.32 NC1=C2C=CC=CC2=CC=C1Br 318213 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.32 NC1=C2C=CC=CC2=CC=C1O 079515 [1,1,0,0,0,0|1,0,0]=3 106 B13R2.32 O=C1C(Br)=COC2=CC=CC=C12 012055 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br 093063 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br 079704 [1,1,0,0,0,0|1,0,0]=3 109 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 211108 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 040180 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 238808 [1,1,0,0,0,0|1,0,0]=3 112 B13R2.57 COC1=CC=C2N=CC=CC2=C1 219254 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 079076 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 048207 [1,1,0,0,0,0|1,0,1]=4 115 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 055573 [1,1,0,0,0,0|1,0,1]=4 116 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 077433 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 145900 [1,1,0,0,0,0|1,0,1]=4 118 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 209194 [1,1,0,0,0,0|1,0,0]=3 119 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 233783 [1,1,0,0,0,0|0,0,1]=3 120 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 079059 [1,1,0,0,0,0|1,0,0]=3 121 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 077436 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.155 CC1=CC2=C(C=C1)OCC(=O)N2 103389 [1,1,0,0,0,0|1,0,1]=4 123 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 005541 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 002536 [1,1,0,0,0,0|1,0,1]=4 125 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 043629 [1,1,0,0,0,0|1,0,1]=4 126 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 223239 [1,1,0,0,0,0|0,0,0]=2 127 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 076753 [1,1,0,0,0,0|1,0,0]=3 128 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)N1 079214 [1,1,0,0,0,0|0,0,2]=4 129 B13R2.155 O=C1CNC2=CC=C(Cl)C=C2N1 011629 [1,1,0,0,0,0|1,0,1]=4 130 B13R2.155 O=C1COC2=CC=C(Cl)C=C2N1 012230 [1,1,0,0,0,0|1,0,1]=4 131 B13R2.155 OC1=CC=C2C=CC(Br)=CC2=C1 076491 [1,1,0,0,0,0|1,0,0]=3 132 B13R2.155 OC1=CC=C2C=CC(O)=NC2=C1 076721 [1,1,0,0,0,0|0,0,2]=4 133 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 018455 [1,1,0,0,0,0|1,0,1]=4 134 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 077193 [1,1,0,0,0,0|1,0,1]=4 135 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 104620 [1,1,0,0,0,0|1,0,0]=3 136 B13R2.162 NC1=NC2=C(O)C=CC=C2C=C1 216425 [1,1,0,0,0,0|1,0,1]=4 137 B13R2.162 O=C1C=CC2=C(N1)C(Br)=CC=C2 304965 [1,1,0,0,0,0|0,0,0]=2 138 B13R2.162 OC1=CC2=C(O)C=CC=C2C=C1 131300 [1,1,0,0,0,0|1,0,0]=3 139 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 067569 [1,1,0,0,0,0|1,0,0]=3 140 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 040217 [1,1,0,0,0,0|0,0,2]=4 141 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 180254 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.328 CC1=CC(Cl)=NC2=C1C=CC=C2 236951 [1,1,0,0,0,0|1,0,1]=4 143 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 216596 [1,1,0,0,0,0|1,0,1]=4 144 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 223437 [1,1,0,0,0,0|1,0,1]=4 145 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 068834 [1,1,0,0,0,0|1,0,1]=4 146 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)N1 217675 [1,1,0,0,0,0|1,0,0]=3 147 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 209309 [1,1,0,0,0,0|1,0,0]=3 148 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 329152 [1,1,0,0,0,0|2,0,0]=4 149 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 076838 [1,1,0,0,0,0|1,0,0]=3 150 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 233677 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 091215 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.328 OC1=CC(O)=NC2=C1C=CC=C2 209285 [1,1,0,0,0,0|0,0,2]=4 153 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 018867 [1,1,0,0,0,0|1,0,1]=4 154 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 002521 [1,1,0,0,0,0|1,0,1]=4 155 B13R2.3683 CC1=NC2=CC=C(Cl)C=C2C=C1 018454 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 002573 [1,1,0,0,0,0|1,0,1]=4 157 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=N1 040880 [1,1,0,0,0,0|1,0,1]=4 158 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 067631 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 047803 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2N1 245876 [1,1,0,0,0,0|0,0,0]=2 161 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 069115 [1,1,0,0,0,0|1,0,0]=3 162 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)N1 040729 [1,1,0,0,0,0|0,0,2]=4 163 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 011766 [1,1,0,0,0,0|0,0,2]=4 164 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 048804 [1,1,0,0,0,0|1,0,0]=3 165 B13R2.3683 OC1=CC=C2N=C(O)C=CC2=C1 079759 [1,1,0,0,0,0|0,0,2]=4 166 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 078987 [1,1,0,0,0,0|1,0,0]=3 167 B13R2.45 CC1=C(C=O)SC2=CC=CC=C21 023325 [0,1,0,0,1,0|2,0,0]=4 168 B13R2.135 CC1=C(C#N)C2=C(C=CC=C2)N1 092198 [0,1,0,0,1,0|2,0,0]=4 169 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 065307 [0,1,0,0,1,0|1,0,1]=4 170 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O 336656 [0,1,0,0,1,0|0,0,0]=2 171 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 040345 [0,1,0,0,1,0|1,0,1]=4 172 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O 093452 [0,1,0,0,1,0|0,0,1]=3 173 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 060624 [0,1,0,0,1,0|0,0,1]=3 174 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 001745 [0,1,0,0,1,0|0,0,1]=3 175 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 008155 [0,1,0,0,1,0|0,0,1]=3 176 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 013160 [0,1,0,0,1,0|0,0,1]=3 177 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 011197 [0,1,0,0,1,0|0,0,1]=3 178 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O 018866 [0,1,0,0,1,0|2,0,0]=4 179 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O 069131 [0,1,0,0,1,0|2,0,0]=4 180 B13R2.3085 O=C1C(=O)N(Cl)C2=C1C=CC=C2 069843 [0,1,0,0,1,0|0,0,1]=3 181 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 079013 [0,1,0,0,1,0|1,0,0]=3 182 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 040728 [0,1,0,0,1,0|0,0,1]=3 183 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O 036369 [0,1,0,0,1,0|0,0,1]=3 184 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 010208 [0,1,0,0,1,0|0,0,1]=3 185 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 049137 [0,1,0,0,1,0|0,0,1]=3 186 B13R2.5190 O=C1NC2=C(C=CC(Cl)=C2)C1=O 040367 [0,1,0,0,1,0|0,0,1]=3 187 B15R2.117 COC1=CC2=C(C=CC=C2)C=C1CO 245795 [0,2,0,0,0,0|1,0,1]=4 188 B15R2.274 CC1=C(C#N)C(=O)OC2=CC=CC=C21 012128 [0,2,0,0,0,0|2,0,0]=4 189 B15R2.984 NC1=C(C(=O)O)C=C2C=CC=CC2=C1 010658 [0,2,0,0,0,0|2,0,0]=4 190 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O 105489 [0,2,0,0,0,0|2,0,0]=4 191 B15R2.984 O=C(O)C1=C(O)C=C2C=CC=CC2=C1 047076 [0,2,0,0,0,0|1,0,0]=3 192 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O 358178 [0,2,0,0,0,0|1,0,0]=3 193 B15R2.984 O=C(O)C1=NC2=C(C=CC=C2)NC1=O 076089 [0,2,0,0,0,0|1,0,0]=3 194 B15R2.9032 CN1C(=O)C2=CC=CC=C2N(O)C1=O 101837 [0,2,0,0,0,0|2,0,0]=4 195 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 036613 [0,0,1,1,0,0|1,1,0]=4 196 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 043684 [0,0,1,1,0,0|2,0,0]=4 197 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 018198 [0,0,1,1,0,0|1,1,0]=4 198 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 019325 [0,0,1,1,0,0|1,0,0]=3 199 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 237503 [0,0,1,1,0,0|2,0,0]=4 200 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 361046 [0,0,1,1,0,0|2,0,0]=4 201 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 065345 [0,0,1,1,0,0|2,0,0]=4 202 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 092296 [0,0,1,0,1,0|2,0,0]=4 203 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 242623 [0,0,1,0,1,0|0,0,2]=4 204 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 018765 [0,0,1,0,1,0|0,0,1]=3 205 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 068259 [0,0,1,0,1,0|1,0,1]=4 206 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 024966 [0,0,1,0,1,0|1,0,0]=3 207 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 093723 [0,0,1,0,1,0|1,0,1]=4 208 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 046847 [0,0,1,0,1,0|1,0,1]=4 209 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 093732 [0,0,1,0,1,0|1,0,1]=4 210 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 103518 [0,0,1,0,1,0|1,0,1]=4 211 B11R2.1 BrC1=CNC2=CC=CN=C12 048860 [1,0,0,0,1,0|2,0,0]=4 212 B11R2.1 CC1=CNC2=CC=CC=C12 068788 [1,0,0,0,1,0|1,0,0]=3 213 B11R2.1 CC1=COC2=CC=CC=C12 013629 [1,0,0,0,1,0|2,0,0]=4 214 B11R2.1 CC1=CSC2=CC=CC=C12 018819 [1,0,0,0,1,0|2,0,0]=4 215 B11R2.1 CN1C=CC2=C1C=CC=C2 208790 [1,0,0,0,1,0|2,0,0]=4 216 B11R2.1 ClC1=NNC2=C1C=CC=C2 076553 [1,0,0,0,1,0|2,0,0]=4 217 B11R2.1 NC1=NNC2=C1C=CC=C2 047410 [1,0,0,0,1,0|2,0,0]=4 218 B11R2.1 O=C1CCC2=C1C=CC=C2 036208 [1,0,0,0,1,0|0,0,2]=4 219 B11R2.1 O=C1COC2=CC=CC=C12 069095 [1,0,0,0,1,0|1,0,1]=4 220 B11R2.1 O=C1NCC2=C1C=CC=C2 091909 [1,0,0,0,1,0|1,0,1]=4 221 B11R2.1 O=C1NSC2=CC=CC=C12 078756 [1,0,0,0,1,0|2,0,0]=4 222 B11R2.1 O=C1OCC2=C1C=CC=C2 091677 [1,0,0,0,1,0|1,0,1]=4 223 B11R2.1 O=C1SSC2=C1C=CC=C2 099152 [1,0,0,0,1,0|2,0,0]=4 224 B11R2.1 OC1=NOC2=CC=CC=C21 017185 [1,0,0,0,1,0|2,0,0]=4 225 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 078866 [1,0,0,0,1,0|1,0,1]=4 226 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 046526 [1,0,0,0,1,0|2,0,0]=4 227 B11R2.10 BrC1=CC2=CC=CC=C2S1 221706 [1,0,0,0,1,0|2,0,0]=4 228 B11R2.10 CC1=CC2=C(C=CC=C2)C1 222644 [1,0,0,0,1,0|1,0,1]=4 229 B11R2.10 CC1=CC2=C(C=CC=C2)S1 013664 [1,0,0,0,1,0|2,0,0]=4 230 B11R2.10 CC1=CC2=CC=CC=C2N1 003402 [1,0,0,0,1,0|1,0,0]=3 231 B11R2.10 CC1=NC2=CC=CC=C2N1 002989 [1,0,0,0,1,0|2,0,0]=4 232 B11R2.10 ClC1=NC2=CC=CC=C2N1 010656 [1,0,0,0,1,0|2,0,0]=4 233 B11R2.10 NC1=NC2=CC=CC=C2N1 064965 [1,0,0,0,1,0|2,0,0]=4 234 B11R2.10 O=C1CC2=C(C=CC=C2)C1 045209 [1,0,0,0,1,0|1,0,1]=4 235 B11R2.10 O=C1CC2=C(C=CC=C2)N1 093498 [1,0,0,0,1,0|0,0,1]=3 236 B11R2.10 O=C1CC2=CC=CC=C2O1 208814 [1,0,0,0,1,0|1,0,1]=4 237 B11R2.10 O=C1CC2=CC=CN=C2N1 079352 [1,0,0,0,1,0|1,0,1]=4 238 B11R2.10 O=C1NC2=CC=CC=C2O1 077983 [1,0,0,0,1,0|1,0,0]=3 239 B11R2.10 O=C1NC2=CC=CC=C2S1 009676 [1,0,0,0,1,0|1,0,0]=3 240 B11R2.10 OC1=NC2=CC=CC=C2N1 002990 [1,0,0,0,1,0|1,0,0]=3 241 B11R2.10 S=C1NC2=CC=CC=C2S1 362022 [1,0,0,0,1,0|1,1,0]=4 242 B11R2.10 SC1=NC2=CC=CC=C2N1 068818 [1,0,0,0,1,0|1,1,0]=4 243 B11R2.36 OC1=CC2=C(C=C1)NC=C2 016237 [1,0,0,0,1,0|2,0,0]=4 244 B11R2.36 OC1=CC2=C(N=C1)NC=C2 236595 [1,0,0,0,1,0|1,0,1]=4 245 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 234849 [0,0,1,0,0,1|0,0,2]=4 246 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=C1 031901 [0,0,1,0,0,1|1,0,0]=3