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AE-641/00568014 [1,0,0,0,0,0|1,0,1]=3 14 B14R2.450 CC(=O)C1=C(C)C2=C(C=CC=C2)S1 AN-584/43484539 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.450 CC(=O)C1=C(O)C2=C(C=CC=C2)S1 AE-848/00240025 [0,1,0,0,0,0|2,0,0]=3 16 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 AE-641/04610051 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.450 CC1=C(C(=O)O)SC2=C1C=CC=C2 AA-516/30012009 [0,1,0,0,0,0|1,0,0]=2 18 B14R2.450 CN1C(C(N)=O)=CC2=CC=CC=C21 AQ-776/42801351 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 AH-357/03390039 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 AH-357/03497008 [0,1,0,0,0,0|0,0,0]=1 21 B14R2.972 COC(=O)N1CC2=CC=CC=C2C1 AN-584/42206209 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)N1 AN-068/25067012 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)O1 AG-690/12765572 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 AN-698/40860212 [0,1,0,0,0,0|1,0,0]=2 25 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 AE-861/30098019 [0,1,0,0,0,0|0,0,0]=1 26 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 AN-584/43484538 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 AN-584/43484537 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O AE-477/25037028 [0,0,1,0,0,0|0,0,2]=3 29 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O AN-651/40401218 [0,0,1,0,0,0|1,0,2]=4 30 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O AE-562/42007298 [0,0,1,0,0,0|1,0,0]=2 31 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 AO-840/40184794 [0,0,1,0,0,0|2,0,0]=3 32 B12R1.125 CC1=CC=CC=C1CCC(=O)O AE-562/43460471 [0,0,1,0,0,0|1,0,2]=4 33 B12R1.125 CC1=CC=CC=C1NCC(=O)O AE-562/33905058 [0,0,1,0,0,0|0,0,2]=3 34 B12R1.125 CC1=CC=CC=C1OCC(=O)O AC-907/25014252 [0,0,1,0,0,0|1,0,2]=4 35 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O AI-942/25034752 [0,0,1,0,0,0|1,0,0]=2 36 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AJ-087/41885657 [0,0,1,0,0,0|1,0,2]=4 37 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 AF-615/00098053 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1Cl AE-641/01171033 [0,0,1,0,0,0|1,0,0]=2 39 B12R2.252 CC(=O)C1=CC2=C(C=CS2)N1 AI-942/25034516 [0,0,0,0,1,0|2,0,0]=3 40 B12R2.252 O=C(O)C1=CC2=C(C=CS2)[Se]1 AI-942/25034333 [0,0,0,0,1,0|2,0,0]=3 41 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 AC-907/25014303 [0,0,0,0,0,1|2,0,0]=3 42 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 AE-508/40228340 [0,0,0,0,0,1|1,0,0]=2 43 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=N1 AK-830/25033071 [0,0,0,0,0,1|0,0,1]=2 44 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 AM-807/25050007 [0,0,0,0,0,1|3,0,0]=4 45 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 AF-399/41144545 [0,0,0,0,0,1|1,0,1]=3 46 B14R2.781 O=C(O)C1CCC2=CC=CC=C2C1 AE-562/43460172 [0,0,0,0,0,1|1,0,2]=4 47 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1 AE-562/43461399 [0,0,0,0,0,1|2,0,1]=4 48 B11R1.40 C=CC(=O)NC1=CC=CC=C1 AQ-917/42754051 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.40 C\C(=N\O)NC1=CC=CC=C1 AC-907/34120003 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AD-266/40164861 [1,0,1,0,0,0|0,0,2]=4 51 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-907/25014208 [1,0,1,0,0,0|1,0,1]=4 52 B11R1.91 O=C(O)CSC1=CC=CC=C1 AN-651/40187870 [1,0,1,0,0,0|1,0,1]=4 53 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AA-516/30131001 [1,0,1,0,0,0|1,0,0]=3 54 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 AF-961/00496050 [1,0,1,0,0,0|1,0,1]=4 55 B11R2.10 CC1=NC2=C(C=CC=C2)N1 AE-641/30396016 [2,0,0,0,0,0|1,0,1]=4 56 B11R2.10 NC1=NC2=C(C=CC=C2)N1 AQ-738/40188880 [2,0,0,0,0,0|2,0,0]=4 57 B11R2.10 O=C1CC2=C(C=CC=C2)N1 AH-034/32845032 [2,0,0,0,0,0|0,0,1]=3 58 B11R2.10 O=C1NC2=C(C=CC=C2)N1 AF-834/25000580 [2,0,0,0,0,0|1,0,0]=3 59 B11R2.10 O=C1NC2=C(C=CC=C2)O1 AG-996/01589042 [2,0,0,0,0,0|1,0,0]=3 60 B11R2.10 OC1=NC2=C(C=CC=C2)S1 AE-018/31855052 [2,0,0,0,0,0|1,0,1]=4 61 B11R2.10 SC1=NC2=C(C=CC=C2)N1 AH-034/32845023 [2,0,0,0,0,0|1,1,0]=4 62 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 AE-641/02458037 [0,1,1,0,0,0|0,0,2]=4 63 B13R1.202 C\C(=C/C1=CC=CC=C1Cl)C(=O)O AE-508/43284223 [0,1,1,0,0,0|1,0,0]=3 64 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O AF-213/30142035 [0,1,1,0,0,0|0,0,1]=3 65 B13R1.90 N#CC1=C(\C=C\C(=O)O)C=CC=C1 AE-562/43458837 [0,1,1,0,0,0|0,0,1]=3 66 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 AE-848/00904006 [0,1,1,0,0,0|1,0,1]=4 67 B13R1.150 O=C(O)\C=C\C1=C(F)C(F)=CC=C1 AT-419/43492645 [0,1,1,0,0,0|1,0,0]=3 68 B13R1.893 O=C(O)\C=C\C1=CC(O)=CC=C1O AR-683/43306427 [0,1,1,0,0,0|1,0,0]=3 69 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F AT-419/43492647 [0,1,1,0,0,0|1,0,0]=3 70 B13R2.43 CC1=CC=C2N=C(CO)NC2=C1 AT-051/40445805 [1,1,0,0,0,0|1,0,1]=4 71 B13R2.43 CC1=CN2C=C(C=O)N=C2C=C1 AQ-776/42801119 [1,1,0,0,0,0|1,0,1]=4 72 B13R2.43 OCC1=NC2=CC(Cl)=CC=C2N1 AN-584/15123002 [1,1,0,0,0,0|1,0,1]=4 73 B13R2.45 O=C1C2=C(C=CC=C2)C\C1=N\O AE-508/36398054 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 AE-848/32008024 [1,1,0,0,0,0|1,0,0]=3 75 B13R2.45 O=CC1=C(Cl)N2C=CC=CC2=N1 AO-638/15166001 [1,1,0,0,0,0|1,0,1]=4 76 B15R2.1569 O=C(CCl)NC1=[SH]C2=C(C=CC=C2)N1 AN-584/43465565 [0,1,0,0,0,1|2,0,0]=4 77 B15R2.7252 O=C(O)CC1=NC2=C(C=CC(Cl)=C2)N1 AG-205/12908081 [0,1,0,0,0,1|1,0,0]=3 78 B15R2.627 O=C(O)C1=CNC2=C(C=CC=C2)C1=O AC-907/34127058 [0,1,0,0,0,1|0,0,0]=2 79 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)OC1=O AE-641/00804058 [0,1,0,0,0,1|2,0,0]=4 80 B15R2.984 NC(=O)C1=NC2=CC=CC=C2N=C1N AB-323/25048495 [0,1,0,0,0,1|1,0,1]=4 81 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O AO-801/41077418 [0,1,0,0,0,1|1,0,0]=3 82 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O AE-641/00583032 [0,1,0,0,0,1|1,0,0]=3 83 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 AG-205/06748049 [0,1,0,0,0,1|0,0,1]=3 84 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 AN-068/40771566 [0,1,0,0,0,1|2,0,0]=4 85 B15R2.7180 CC1=CC2=CC=C(C(=O)O)C=C2C=C1 AB-131/42301149 [0,1,0,0,0,1|1,0,0]=3 86 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2S1 AO-800/41069762 [0,1,0,0,0,1|1,0,0]=3 87 B15R2.14951 O=C1CC(C(=O)O)SC2=CC=CC=C12 AN-584/43277590 [0,1,0,0,0,1|1,0,1]=4 88 B15R2.1592 CC1=C(C(=O)NN)OC2=CC=CC=C21 AO-365/40405628 [0,2,0,0,0,0|2,0,0]=4 89 B15R2.1592 CN1C(C(=O)NN)=CC2=C1C=CC=C2 AG-670/33304019 [0,2,0,0,0,0|1,0,0]=3 90 B15R2.7203 CC(=O)C1=C(C)C2=C(C=CC(C)=C2)O1 AQ-358/43417409 [0,2,0,0,0,0|2,0,0]=4 91 B15R2.13629 CC1=C(C(=O)O)OC2=CC=CC(O)=C21 AN-584/43371948 [0,2,0,0,0,0|1,0,0]=3 92 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 AG-690/36719028 [0,2,0,0,0,0|1,0,0]=3 93 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 AF-399/25051010 [0,2,0,0,0,0|1,0,0]=3 94 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)N1 AF-966/00545036 [0,2,0,0,0,0|0,0,0]=2 95 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 AI-204/31692003 [0,2,0,0,0,0|1,0,1]=4 96 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)S1 AK-249/36420010 [0,2,0,0,0,0|1,0,1]=4 97 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Cl)=CC=C2 AN-584/43484534 [0,2,0,0,0,0|1,0,0]=3 98 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O AN-829/06063010 [0,0,1,1,0,0|0,0,0]=2 99 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br AE-562/12222093 [0,0,1,1,0,0|2,0,0]=4 100 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O AN-970/40217538 [0,0,1,1,0,0|2,0,0]=4 101 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O AN-829/40355682 [0,0,1,1,0,0|1,0,0]=3 102 B13R2.430 O=C(O)C1=NC2=C(C=C1)[Se]C=C2 AI-942/25034489 [0,0,1,1,0,0|1,0,1]=4 103 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 AC-907/25014212 [0,0,1,0,1,0|1,0,1]=4 104 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 AH-034/32845038 [0,0,1,0,1,0|1,0,0]=3 105 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 AE-562/40233036 [0,0,1,0,1,0|1,0,1]=4 106 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 AE-562/40169431 [0,0,1,0,1,0|2,0,0]=4 107 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 AG-996/01589028 [0,0,1,0,1,0|2,0,0]=4 108 B11R1.86 CC(=O)NC1=CC=CC=C1Br AI-942/04429053 [0,0,1,0,1,0|2,0,0]=4 109 B11R1.86 CC(=O)NC1=CC=CC=C1N AE-641/00627026 [0,0,1,0,1,0|2,0,0]=4 110 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 AC-509/25002066 [0,0,1,0,1,0|0,0,2]=4 111 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 AR-360/41705362 [0,0,1,0,1,0|1,0,1]=4 112 B13R2.57 OCC1=CC2=C(C=CC=C2)C=N1 AE-477/25037015 [1,0,0,0,0,1|0,0,2]=4 113 B13R2.57 OCC1=CNC2=C(C=CC=C2)N1 AE-641/25069029 [1,0,0,0,0,1|0,0,1]=3 114 B15R2.1660 NC(=O)CSC1=NC2=C(C=CC=C2)N1 AE-641/02009033 [0,0,0,0,0,2|2,0,0]=4 115 B15R2.1660 O=C(O)CCC1=CC2=C(C=CC=C2)N1 AG-205/37082052 [0,0,0,0,0,2|0,0,0]=2 116 B15R2.1660 O=C(O)CSC1=NC2=C(C=CC=C2)N1 AE-641/00387011 [0,0,0,0,0,2|1,0,0]=3 117 B15R2.1668 O=C(O)CC1=CC=C2N=CC=CC2=C1 AT-419/43507515 [0,0,0,0,0,2|2,0,0]=4