0 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AB-131/40897099 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 COC1=CC=C2C=CC=CC2=C1 AF-676/00077048 [0,0,0,0,0,0|1,0,0]=1 2 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 AB-131/42000802 [0,0,0,0,0,0|1,1,0]=2 3 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=C1 AH-034/11364159 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.57 OCC1=CC2=C(C=CC=C2)C=N1 AE-477/25037015 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.24 BrC1=CC2=CC=CC=[N+]2C=C1 AQ-405/42300594 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 AC-907/25004859 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 AG-205/12083031 [1,0,0,0,0,0|1,0,0]=2 8 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 AC-907/25014225 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 AC-907/25004858 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 CC1=CC2=CC=CN=C2C=C1 AC-907/25014269 [1,0,0,0,0,0|0,0,0]=1 11 B12R2.24 C[N+]1=CC2=CC=CN=C2C=C1 AC-907/34120060 [1,0,0,0,0,0|1,0,0]=2 12 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 AH-034/32825008 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 FC1=CC2=NC=CC=C2C=C1 AF-753/00317059 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 NC1=CC2=C(C=C1)N=CC=N2 AE-842/31875017 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.24 NC1=CC2=CC=CN=C2C=C1 AC-907/25014243 [1,0,0,0,0,0|1,0,0]=2 16 B12R2.24 NC1=CC=C2C=CC=CC2=N1 AC-907/25014242 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 NC1=CN=C2C=CC=CC2=C1 AH-034/32464043 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 NC1=NC2=C(C=C1)N=CC=N2 AE-842/31981016 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 AC-907/25014359 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.24 O=C1C=CN2C=CC=CC2=C1 AC-907/25004896 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 AB-131/40299865 [1,0,0,0,0,0|1,0,0]=2 22 B12R2.24 OC1=CC2=CC=CN=C2C=C1 AC-907/25014237 [1,0,0,0,0,0|0,0,0]=1 23 B12R2.24 OC1=CC=[N+]2C=CC=CC2=C1 AN-584/43493900 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 OC1=CN=C2C=CC=CC2=C1 AE-907/30839031 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AB-323/25048501 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 SC1=CC=C2C=CC=CC2=C1 AQ-917/40186368 [1,0,0,0,0,0|1,1,0]=3 27 B12R2.24 [O-][N+]1=CC2=C(C=CC=C2)C=C1 AC-907/25014238 [1,0,0,0,0,0|2,0,1]=4 28 B14R2.92 N#CC1=C(N)C2=C(C=CC=C2)C=C1 AE-562/43287003 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.92 O=CC1=C(Br)C2=C(C=CC=C2)C=C1 AE-641/03232057 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.112 BrCCC1=CC2=CC=CC=C2C=C1 AQ-917/42754009 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.112 N#CCC1=CC=C2C=CC=CC2=C1 AC-907/25014298 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 AB-131/42300975 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.134 COC1=CC2=C[N+]([O-])=CC=C2C=C1 AP-406/41885695 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 AC-907/25014303 [0,1,0,0,0,0|2,0,0]=3 35 B14R2.781 C[C@H](N)C1=CC=C2C=CC=CC2=C1 AI-942/25034862 [0,1,0,0,0,0|2,0,0]=3 36 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 AE-508/40228340 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 AM-807/25050007 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)N=CC=C2 AC-907/25014227 [0,1,0,0,0,0|2,0,0]=3 39 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1 AE-562/43461399 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.2332 CC1=CC=C2C=C(CO)C=CC2=C1 AB-131/42300931 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.2332 COC1=CC2=C(C=C1)N=C(N)CS2 AN-829/25042016 [0,1,0,0,0,0|1,0,1]=3 42 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 AR-683/40724488 [0,1,0,0,0,0|1,0,0]=2 43 B12R2.44 COC1=CC2=C(C=C1)NC=C2 AB-337/25021007 [0,0,0,0,1,0|0,0,1]=2 44 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AQ-776/40228276 [0,0,0,0,1,0|1,0,0]=2 45 B11R1.1 C=CCOC1=CC=C(O)C=C1 AK-087/42718133 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.83 COC1=CC=C(\C=N/O)C=C1 AG-777/25006430 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.279 COC1=CC(C)=C(C=S)C=C1 AB-131/42300946 [1,0,1,0,0,0|1,0,1]=4 48 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 AE-641/01960007 [2,0,0,0,0,0|0,0,0]=2 49 B11R2.20 C1=CC2=CC=NC=C2C=C1 AC-907/25014235 [2,0,0,0,0,0|2,0,0]=4 50 B11R2.20 C1=CC2=CN=CN=C2C=C1 AC-907/25014195 [2,0,0,0,0,0|1,0,0]=3 51 B11R2.20 C1=CN=C2N=CC=NC2=C1 AC-907/25014161 [2,0,0,0,0,0|2,0,0]=4 52 B11R2.20 C1=NC=C2N=CC=NC2=C1 AC-907/34118021 [2,0,0,0,0,0|2,0,0]=4 53 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 AB-131/40027014 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 AG-205/06379040 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 AG-690/03019022 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 AE-641/00135031 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 AF-962/00512033 [0,1,1,0,0,0|1,0,1]=4 58 B13R1.643 COC1=CC(\C=C\C(=O)O)=CC=C1 AE-848/02128047 [0,1,1,0,0,0|1,0,0]=3 59 B13R1.643 COC1=CC=CC(\C=C\[N+](=O)[O-])=C1 AE-848/00888055 [0,1,1,0,0,0|2,0,0]=4 60 B13R2.32 CC1=C(C)C2=CC=CN=C2C=C1 AO-801/41077378 [1,1,0,0,0,0|0,0,0]=2 61 B13R2.32 CC1=C(N)C2=C(C=CC=C2)N=C1 AC-907/30063017 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.32 CN1C=CC2=CC=CC=C2C1=S AP-402/41884925 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.32 NC1=C2C=CC=C[N+]2=CC=C1O AN-584/43493901 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.32 OC1=C(Br)C2=C(C=CC=C2)C=C1 AE-641/30106059 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.155 NC1=CC=C2C=CC(N)=CC2=C1 AQ-012/40222987 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.162 ClC1=NC=NC2=CC=C(I)C=C21 AR-527/43405044 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.162 O=C1NC=NC2=C1C=C(I)C=C2 AG-205/05210062 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.328 CC1=CC(O)=C2C=CC=CC2=N1 AH-034/32851007 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.328 CC1=CC2=C(C=CC=C2)C(=O)N1 AG-777/40171120 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 AE-848/31925049 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.328 C[N+]1=CC2=CC=CC=C2C(Br)=C1 AQ-405/42300593 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.328 OC1=CC(Cl)=C2C=CC=CC2=N1 AF-753/00295025 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.328 OC1=CC(O)=C2C=CC=CC2=N1 AC-907/25014240 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.369 CC1=CC2=CC=CC=[N+]2C=C1C AQ-405/42300558 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.369 CC1=CC2=CC=CN=C2C=C1C AO-801/41077379 [1,1,0,0,0,0|0,0,0]=2 76 B13R2.369 CC1=NC2=NC=CC=C2C=C1Br AF-399/41144552 [1,1,0,0,0,0|2,0,0]=4 77 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br AE-562/12222093 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O AN-829/40355682 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.3683 CC1=CC2=CC=C(Br)N=C2C=C1 AE-848/11243588 [1,1,0,0,0,0|0,0,0]=2 80 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 AR-683/43232140 [1,1,0,0,0,0|1,0,0]=3 81 B13R2.5179 CC1=CC2=CC=C[N+](C)=C2C=C1 AC-907/25005147 [1,1,0,0,0,0|0,0,1]=3 82 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 AN-829/40236618 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.654 COC1=CC2=C(N=CS2)C(N)=C1 AN-970/40920532 [0,1,0,0,1,0|1,0,0]=3 84 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 AT-051/43421128 [0,1,0,0,1,0|0,0,2]=4 85 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 AE-641/00784022 [0,1,0,0,1,0|1,0,0]=3 86 B13R2.2121 COC1=CC2=C(C=C1)NC(S)=N2 AN-829/05700007 [0,1,0,0,1,0|1,0,1]=4 87 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 AT-051/40178783 [0,1,0,0,1,0|0,0,2]=4 88 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 AM-807/25099016 [0,1,0,0,1,0|1,0,1]=4 89 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=C2 AN-068/25067015 [0,1,0,0,1,0|0,0,1]=3 90 B15R2.2115 COC1=C(CCl)C2=CC=CC=C2C=C1 AB-131/42300712 [0,2,0,0,0,0|1,0,0]=3 91 B15R2.2220 CCOC1=NC=C2C=CC=CC2=C1Cl AC-907/25005116 [0,2,0,0,0,0|2,0,0]=4 92 B15R2.352 BrCCOC1=CC=C2C=CC=CC2=C1 AE-641/30196045 [0,2,0,0,0,0|1,0,0]=3 93 B15R2.886 CCOC1=CC(Br)=C2C=CC=CC2=N1 AC-907/25005114 [0,2,0,0,0,0|2,0,0]=4 94 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 AG-205/06748049 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.1601 CSC(=S)C1=CC2=CC=CC=C2C=C1 AB-131/25126017 [0,2,0,0,0,0|1,1,0]=4 96 B15R2.1668 O=C(O)CC1=CC=C2N=CC=CC2=C1 AT-419/43507515 [0,2,0,0,0,0|1,0,1]=4 97 B15R2.10252 CCOC1=CC2=CC=C(Br)C=C2C=C1 AQ-918/42745346 [0,2,0,0,0,0|1,0,0]=3 98 B15R2.21329 COC1=CC2=C(C=C1)NC(=O)C=C2O AE-562/12222655 [0,2,0,0,0,0|0,0,1]=3 99 B15R2.4441 O=S(=O)(O)C1=CC2=C(C=C1)N=CC=C2 AE-562/12222293 [0,2,0,0,0,0|1,1,0]=4 100 B15R2.117 COC1=NC2=CC=CC=C2C=C1CO AP-065/43441413 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.4780 COC1=CC2=CC=C(C#N)C=C2C=C1 AE-562/43459264 [0,2,0,0,0,0|1,0,0]=3 102 B13R2.10 O=C1C=C(C2=CC=CC=N2)CS1 AI-942/42302134 [0,0,1,1,0,0|1,1,0]=4 103 B11R1.25 COC(=O)\C=C\C1=CC=CS1 AE-562/40245922 [0,0,1,0,1,0|2,0,0]=4 104 B11R1.222 COC(=O)C1=C(S)N=CC=C1 AJ-333/25022067 [0,0,1,0,1,0|2,0,0]=4 105 B11R1.222 COC(=O)C1=CC=CN=C1Cl AN-584/42206200 [0,0,1,0,1,0|2,0,0]=4 106 B11R2.1 CC1=CNC2=C1C=CC=C2 AP-065/40182778 [1,0,0,0,1,0|2,0,0]=4 107 B11R2.1 OC1=NOC2=C1C=CC=N2 AJ-333/25006227 [1,0,0,0,1,0|2,0,0]=4 108 B11R2.36 CC1=NC2=C(C=C1)[Se]C=C2 AI-942/25034524 [1,0,0,0,1,0|2,0,0]=4 109 B11R2.36 NC1=CC2=C(C=C1)N=CS2 AE-641/00784028 [1,0,0,0,1,0|2,0,0]=4