0 B13R2.369 CC1=C(Cl)N=C2C=CC=CC2=N1 AC-907/25014234 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1=C(N)N=C2C=CC=CC2=N1 AC-907/25004926 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.369 CC1=CC2=CC=CC=[N+]2C=C1C AQ-405/42300558 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 CC1=CC2=CC=CN=C2C=C1C AO-801/41077379 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1S AE-641/00622062 [0,0,0,0,0,0|2,1,1]=4 5 B13R2.369 CC1=NC2=NC=CC=C2C=C1Br AF-399/41144552 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O AK-820/40214345 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.369 ClC1=NC2=C(C=CC=C2)N=C1Cl AC-907/25014189 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O AN-829/06063010 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br AE-562/12222093 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 NC1=NC2=C(C=CC=C2)N=C1Cl AC-907/25004766 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O AN-970/40217538 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.369 O=C1NC2=CC=CN=C2NC1=O AB-323/25048514 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.369 O=C1NC2=CN=CN=C2NC1=O AN-970/40920457 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O AN-829/40355682 [0,0,0,0,0,0|1,0,0]=1 15 B13R2.369 OC1=NC2=C(C=CC=C2)N=C1O AA-516/30054034 [0,0,0,0,0,0|1,0,2]=3 16 B12R2.24 BrC1=CC2=CC=CC=[N+]2C=C1 AQ-405/42300594 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 AC-907/25004859 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.24 BrC1=CC=C2C=CC=NC2=N1 AF-956/02702003 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 AG-205/12083031 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 AC-907/25014225 [1,0,0,0,0,0|1,0,1]=3 21 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 AC-907/25004858 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 CC1=CC2=CC=CN=C2C=C1 AC-907/25014269 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 AH-034/32825008 [1,0,0,0,0,0|1,0,1]=3 24 B12R2.24 FC1=CC2=NC=CC=C2C=C1 AF-753/00317059 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 NC1=CC2=CC=CN=C2C=C1 AC-907/25014243 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 NC1=CC=C2C=CC=CC2=N1 AC-907/25014242 [1,0,0,0,0,0|1,0,1]=3 27 B12R2.24 NC1=CN=C2C=CC=CC2=C1 AH-034/32464043 [1,0,0,0,0,0|1,0,1]=3 28 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 AC-907/25014359 [1,0,0,0,0,0|0,0,0]=1 29 B12R2.24 O=C1C=CN2C=CC=CC2=C1 AC-907/25004896 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 O=C1COC2=CC=CC=C2N1 AE-473/30224032 [1,0,0,0,0,0|1,0,1]=3 31 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 AB-321/40172031 [1,0,0,0,0,0|1,0,1]=3 32 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 AB-131/40299865 [1,0,0,0,0,0|1,0,0]=2 33 B12R2.24 OC1=CC2=CC=CN=C2C=C1 AC-907/25014237 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 OC1=CC=[N+]2C=CC=CC2=C1 AN-584/43493900 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.24 OC1=CN=C2C=CC=CC2=C1 AE-907/30839031 [1,0,0,0,0,0|0,0,1]=2 36 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AB-323/25048501 [1,0,0,0,0,0|1,0,1]=3 37 B12R2.24 SC1=CC=C2C=CC=CC2=C1 AQ-917/40186368 [1,0,0,0,0,0|1,1,0]=3 38 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 39 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1N AO-080/43342884 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.1128 NNC1=NC2=CC=CC=C2NC1=O AB-323/25048509 [0,1,0,0,0,0|2,0,0]=3 41 B14R2.1128 OC1=NC2=C(C=CC=C2)N=C1CBr AN-829/25059007 [0,1,0,0,0,0|2,0,1]=4 42 B14R2.1128 OCC1=C(Cl)N=C2C=CC=CC2=C1 AE-641/00425011 [0,1,0,0,0,0|1,0,1]=3 43 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1I AP-065/43441418 [0,1,0,0,0,0|1,0,1]=3 44 B14R2.8188 BrC1=C(Br)C(Br)=C2C=CC=CC2=N1 AC-907/25004846 [0,1,0,0,0,0|2,0,1]=4 45 B14R2.8188 CC1=C(Br)C(O)=NC2=C1C=CC=C2 AE-406/41056676 [0,1,0,0,0,0|1,0,2]=4 46 B14R2.8188 CC1=C(C)C2=CC=CC=C2C=C1O AP-406/42800539 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.8188 CC1=C(Cl)C2=C(C=CC=C2)N=C1Cl AE-406/41055959 [0,1,0,0,0,0|2,0,1]=4 48 B14R2.8188 CC1=NC2=C(C=CC=C2)C(=O)N1O AE-473/30080024 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.8239 CC1=CC2=C(C=C1)NC(=O)C(C)=N2 AK-830/40406137 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.8239 CC1SC2=CC=C(N)C=C2NC1=O AN-829/25073006 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.8239 OC1=NC2=CC=C(Cl)C=C2N=C1O AE-842/31981024 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.43 C=C(C)C(=O)NC1=CC=NC=C1 AP-122/41076027 [0,0,1,0,0,0|2,0,0]=3 53 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O AE-477/25037028 [0,0,1,0,0,0|2,0,1]=4 54 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O AE-562/42007298 [0,0,1,0,0,0|2,0,0]=3 55 B12R1.371 COC(=O)NC1=C(O)C=CC=C1 AJ-087/25124002 [0,0,1,0,0,0|3,0,0]=4 56 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O AN-584/43492796 [0,0,0,0,1,0|1,0,1]=3 57 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br AN-668/40768842 [0,0,0,0,0,1|1,0,2]=4 58 B11R1.40 C=CC(=O)NC1=CC=CC=C1 AQ-917/42754051 [1,0,1,0,0,0|0,0,0]=2 59 B11R1.40 C\C(=N\O)NC1=CC=CC=C1 AC-907/34120003 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.40 O=C(CC1=CC=CC=C1)NO AD-266/40386900 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AA-516/30131001 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 AF-961/00496050 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 AE-562/40169431 [1,0,1,0,0,0|1,0,1]=4 64 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 AG-996/01589028 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.86 CC(=O)NC1=CC=CC=C1Br AI-942/04429053 [1,0,1,0,0,0|1,0,1]=4 66 B11R1.86 CC(=O)NC1=CC=CC=C1N AE-641/00627026 [1,0,1,0,0,0|1,0,1]=4 67 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 AC-509/25002066 [1,0,1,0,0,0|1,0,1]=4 68 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 AR-360/41705362 [1,0,1,0,0,0|1,0,1]=4 69 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 AE-641/01960007 [2,0,0,0,0,0|0,0,1]=3 70 B11R2.20 C1=CC2=CC=NC=C2C=C1 AC-907/25014235 [2,0,0,0,0,0|2,0,0]=4 71 B11R2.20 C1=CC2=CN=CN=C2C=C1 AC-907/25014195 [2,0,0,0,0,0|1,0,1]=4 72 B13R1.202 C\C(=C/C1=CC=CC=C1Cl)C(=O)O AE-508/43284223 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O AF-213/30142035 [0,1,1,0,0,0|2,0,0]=4 74 B13R2.32 BrC1=C(Br)C2=C(C=CC=C2)N=C1 AC-907/25004851 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.32 CC1=C(N)C2=C(C=CC=C2)N=C1 AC-907/30063017 [1,1,0,0,0,0|1,0,1]=4 76 B13R2.32 CN1C(=N)C=CC2=C1C=CC=C2 AC-907/34123035 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.32 CN1C(=O)C=CC2=C1C=CC=C2 AO-840/40233519 [1,1,0,0,0,0|0,0,0]=2 78 B13R2.32 CN1C(=O)C=NC2=C1C=CC=C2 AK-830/25033058 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.32 C[N+]1=C2C=CC=CC2=CC=C1N AC-907/25005040 [1,1,0,0,0,0|1,0,1]=4 80 B13R2.32 NC1=C2C=CC=CC2=NC=C1Br AC-907/25004883 [1,1,0,0,0,0|1,0,1]=4 81 B13R2.32 NC1=C2C=CC=C[N+]2=CC=C1O AN-584/43493901 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.32 NC1=CN=C2C=CC=CC2=C1Br AC-907/25004882 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.32 NC1=CN=C2C=CC=CC2=C1S AR-527/43363325 [1,1,0,0,0,0|1,0,1]=4 84 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 85 B13R2.32 OC1=C2C=CC=CC2=NC=C1Br AF-753/00295028 [1,1,0,0,0,0|1,0,1]=4 86 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AB-131/40897099 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.57 COC1=CC=C2C=CC=CC2=C1 AF-676/00077048 [1,1,0,0,0,0|1,0,0]=3 88 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 AB-131/42000802 [1,1,0,0,0,0|1,1,0]=4 89 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=C1 AH-034/11364159 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.57 OCC1=CC2=C(C=CC=C2)C=N1 AE-477/25037015 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.57 OCC1=CNC2=C(C=CC=C2)N1 AE-641/25069029 [1,1,0,0,0,0|1,0,0]=3 92 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 AK-820/40214366 [1,1,0,0,0,0|1,0,1]=4 93 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 AN-829/25059006 [1,1,0,0,0,0|1,0,1]=4 94 B13R2.155 NC1=CC=C2C=CC(N)=CC2=C1 AQ-012/40222987 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 AE-641/01183042 [1,1,0,0,0,0|1,0,1]=4 96 B13R2.328 BrC1=CC(Br)=C2C=CC=CC2=N1 AC-907/34106024 [1,1,0,0,0,0|1,0,1]=4 97 B13R2.328 CC1=C2C=CC=CC2=NC(Cl)=C1 AE-848/06107050 [1,1,0,0,0,0|1,0,1]=4 98 B13R2.328 CC1=CC(O)=C2C=CC=CC2=N1 AH-034/32851007 [1,1,0,0,0,0|1,0,1]=4 99 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 AE-848/31925049 [1,1,0,0,0,0|1,0,1]=4 100 B13R2.328 C[N+]1=CC(Br)=CC2=C1C=CC=C2 AC-907/30063012 [1,1,0,0,0,0|1,0,1]=4 101 B13R2.328 ClC1=CC(Cl)=C2C=CC=CC2=N1 AF-753/00295002 [1,1,0,0,0,0|1,0,1]=4 102 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 AH-740/03933012 [1,1,0,0,0,0|1,0,0]=3 103 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 AJ-333/25006179 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 AE-641/30105041 [1,1,0,0,0,0|1,0,0]=3 105 B13R2.328 OC1=CC(Cl)=C2C=CC=CC2=N1 AF-753/00295025 [1,1,0,0,0,0|0,0,2]=4 106 B13R2.328 OC1=CC(O)=C2C=CC=CC2=N1 AC-907/25014240 [1,1,0,0,0,0|0,0,2]=4 107 B13R2.328 [O-][N+]1=CC(Br)=CC2=C1C=CC=C2 AE-842/32231029 [1,1,0,0,0,0|1,0,1]=4 108 B13R2.3683 CC1=CC2=CC=C(Br)N=C2C=C1 AE-848/11243588 [1,1,0,0,0,0|1,0,1]=4 109 B13R2.3683 CC1=CC=C2NC(=O)CSC2=C1 AN-829/42007422 [1,1,0,0,0,0|1,0,1]=4 110 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 AR-683/43232140 [1,1,0,0,0,0|1,0,1]=4 111 B13R2.3683 O=C1CSC2=C(C=CC(O)=C2)N1 AN-829/25042019 [1,1,0,0,0,0|1,0,1]=4 112 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 AN-829/40236618 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.45 N#CC1=C(O)C2=CC=CC=C2S1 AB-337/05459043 [0,1,0,0,1,0|2,0,0]=4 114 B13R2.45 O=C1C2=C(C=CC=C2)C\C1=N\O AE-508/36398054 [0,1,0,0,1,0|0,0,1]=3 115 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 AE-848/32008024 [0,1,0,0,1,0|2,0,0]=4 116 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N/O AE-641/30401031 [0,1,0,0,1,0|0,0,0]=2 117 B13R2.135 O=CC1=C(Cl)NC2=C1C=CC=C2 AH-034/32861025 [0,1,0,0,1,0|1,0,1]=4 118 B13R2.135 O=CC1C(=O)NC2=C1C=CC=C2 AG-670/33307008 [0,1,0,0,1,0|0,0,2]=4 119 B13R2.3085 CC1C(=O)C2=CC=CC=C2C1=O AN-584/42206205 [0,1,0,0,1,0|1,0,1]=4 120 B13R2.3085 CN1C(=O)C(O)C2=C1C=CC=C2 AP-123/40171998 [0,1,0,0,1,0|0,0,1]=3 121 B13R2.3085 CN1C(=O)C2=C(C=CC=C2)C1=O AE-848/00900046 [0,1,0,0,1,0|2,0,0]=4 122 B13R2.3085 NN1C(=O)C2=C(C=CC=C2)C1=O AQ-344/40414632 [0,1,0,0,1,0|2,0,0]=4 123 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O AE-017/30049024 [0,1,0,0,1,0|0,0,1]=3 124 B15R2.117 COC1=NC2=CC=CC=C2C=C1CO AP-065/43441413 [0,2,0,0,0,0|0,0,2]=4 125 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)OC1=O AE-641/00804058 [0,2,0,0,0,0|1,0,1]=4 126 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O AO-801/41077418 [0,2,0,0,0,0|2,0,0]=4 127 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O AE-641/00583032 [0,2,0,0,0,0|1,0,0]=3 128 B15R2.1007 O=C1NC2=C(C=C(F)C=C2)C(O)=C1Cl AE-406/41056736 [0,2,0,0,0,0|1,0,0]=3 129 B15R2.13612 CC1=C2OC(=O)C(N)=C(O)C2=CC=C1 AP-378/40771216 [0,2,0,0,0,0|2,0,0]=4 130 B15R2.63893 CC1=C(Cl)C(=O)OC2=CC(O)=CC=C21 AN-829/40891487 [0,2,0,0,0,0|2,0,0]=4 131 B15R2.21336 COC1=CC=C2NC(=O)C(O)CC2=C1 AQ-776/42801590 [0,2,0,0,0,0|0,0,2]=4 132 B15R2.62227 CC1=CC2=CC(O)=C(O)C=C2OC1=O AO-801/41077492 [0,2,0,0,0,0|2,0,0]=4 133 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 AB-337/25021054 [0,0,1,1,0,0|1,0,0]=3 134 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 AQ-776/40177767 [0,0,1,1,0,0|2,0,0]=4 135 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 AN-278/25047013 [0,0,1,1,0,0|1,0,0]=3 136 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)[Se]1 AI-942/25034640 [0,0,1,1,0,0|1,1,0]=4 137 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 AC-907/25014212 [0,0,1,0,1,0|1,0,1]=4 138 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 AI-942/25034561 [0,0,1,0,1,0|0,0,1]=3 139 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 AH-034/32845038 [0,0,1,0,1,0|1,0,0]=3 140 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 AE-562/40233036 [0,0,1,0,1,0|1,0,1]=4 141 B11R2.1 CC1=CNC2=C1C=CC=C2 AP-065/40182778 [1,0,0,0,1,0|1,0,0]=3 142 B11R2.1 ClC1=NNC2=C1C=CC=C2 AC-907/25014153 [1,0,0,0,1,0|2,0,0]=4 143 B11R2.1 NC1=NNC2=C1C=CC=C2 AE-413/25046004 [1,0,0,0,1,0|2,0,0]=4 144 B11R2.1 O=C1NSC2=C1C=CC=C2 AE-562/40151878 [1,0,0,0,1,0|2,0,0]=4 145 B11R2.1 O=C1OCC2=C1C=CC=C2 AE-641/30105043 [1,0,0,0,1,0|1,0,1]=4 146 B11R2.1 O=C1SCC2=CC=CC=C12 AE-641/25069001 [1,0,0,0,1,0|1,0,1]=4 147 B11R2.10 CC1=NC2=C(C=CC=C2)N1 AE-641/30396016 [1,0,0,0,1,0|2,0,0]=4 148 B11R2.10 NC1=NC2=C(C=CC=C2)N1 AQ-738/40188880 [1,0,0,0,1,0|2,0,0]=4 149 B11R2.10 O=C1CC2=C(C=CC=C2)N1 AH-034/32845032 [1,0,0,0,1,0|0,0,1]=3 150 B11R2.10 O=C1NC2=C(C=CC=C2)N1 AF-834/25000580 [1,0,0,0,1,0|1,0,0]=3 151 B11R2.10 O=C1NC2=C(C=CC=C2)O1 AG-996/01589042 [1,0,0,0,1,0|1,0,0]=3 152 B11R2.10 OC1=NC2=C(C=CC=C2)S1 AE-018/31855052 [1,0,0,0,1,0|1,0,1]=4 153 B11R2.10 SC1=NC2=C(C=CC=C2)N1 AH-034/32845023 [1,0,0,0,1,0|1,1,0]=4 154 B13R1.348 CC(O)CC(=O)NC1=CC=CC=C1 AO-435/42299917 [0,0,1,0,0,1|0,0,2]=4