0 B12R1.11 CC(=O)c1cc(cc(c1)Br)C#N AB77764 [1,0,0,0,0,0|2,1,0]=4 1 B12R1.11 CC(=O)c1cc(cc(c1)Cl)C#N AB77753 [1,0,0,0,0,0|2,1,0]=4 2 B12R1.11 CC(=O)c1cc(cc(c1)F)C#N AB76159 [1,0,0,0,0,0|2,1,0]=4 3 B12R1.11 CC(=O)c1cc(cc(c1)I)C#N AB77775 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.11 CC(=O)c1cc(cc(c1)O)C#N AB77800 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.11 CC(=O)c1cc(cc(n1)C#N)I AB79830 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.11 CC(=O)c1cc(cc(n1)I)C#N AB79669 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.11 CC(=O)c1cc(nc(c1)I)C#N AB79944 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.11 COc1cc(cc(c1)Br)[N+](=O)[O-] AB17662 [1,0,0,0,0,0|2,1,0]=4 9 B12R1.11 Cc1cc(cc(c1)C(=O)C)C#N AB77801 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.11 Cc1cc(cc(c1)C(=O)O)C#N AB62673 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])C=O AB75685 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])CCl AB75687 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])CN AB75686 [1,0,0,0,0,0|1,0,2]=4 14 B12R1.11 c1c(cc(cc1C(=O)N)O)C#N MB37660 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.11 c1c(cc(cc1C(=O)O)Br)C#N AB50041 [1,0,0,0,0,0|1,1,1]=4 16 B12R1.11 c1c(cc(cc1C(=O)O)Cl)C#N AB29579 [1,0,0,0,0,0|1,1,1]=4 17 B12R1.11 c1c(cc(cc1C(=O)O)F)C#N AB21903 [1,0,0,0,0,0|1,1,1]=4 18 B12R1.11 c1c(cc(cc1C(=O)O)I)C#N AB77714 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.11 c1c(cc(cc1C(=O)O)N)C#N AB50174 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.11 c1c(cc(cc1C(=O)O)O)C#N AB71614 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.11 c1c(cc(cc1N)[N+](=O)[O-])CN AB75519 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.11 c1c(cc(cc1N)[N+](=O)[O-])CO AB43993 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Br)C=O AB03377 [1,0,0,0,0,0|1,1,1]=4 24 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Br)CCl AB49686 [1,0,0,0,0,0|1,1,1]=4 25 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Br)CN AB75549 [1,0,0,0,0,0|0,1,2]=4 26 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Br)CO MB07065 [1,0,0,0,0,0|1,1,1]=4 27 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Cl)C=O AB43996 [1,0,0,0,0,0|1,1,1]=4 28 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Cl)CCl AB75579 [1,0,0,0,0,0|1,1,1]=4 29 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Cl)CN AB75577 [1,0,0,0,0,0|0,1,2]=4 30 B12R1.11 c1c(cc(cc1[N+](=O)[O-])Cl)CO AB43995 [1,0,0,0,0,0|1,1,1]=4 31 B12R1.11 c1c(cc(cc1[N+](=O)[O-])F)C=O AB63584 [1,0,0,0,0,0|1,1,1]=4 32 B12R1.11 c1c(cc(cc1[N+](=O)[O-])F)CCl AB66784 [1,0,0,0,0,0|1,1,1]=4 33 B12R1.11 c1c(cc(cc1[N+](=O)[O-])F)CN AB70448 [1,0,0,0,0,0|0,1,2]=4 34 B12R1.11 c1c(cc(cc1[N+](=O)[O-])I)C=O AB75651 [1,0,0,0,0,0|1,0,1]=3 35 B12R1.11 c1c(cc(cc1[N+](=O)[O-])I)CCl AB75660 [1,0,0,0,0,0|1,0,1]=3 36 B12R1.11 c1c(cc(cc1[N+](=O)[O-])I)CN AB75657 [1,0,0,0,0,0|0,0,2]=3 37 B12R1.11 c1c(cc(cc1[N+](=O)[O-])O)C=O AB64983 [1,0,0,0,0,0|2,0,1]=4 38 B12R1.11 c1c(cc(cc1[N+](=O)[O-])O)CN AB75640 [1,0,0,0,0,0|1,0,2]=4 39 B12R1.11 c1c(cc(nc1C#N)C(=O)O)I AB79383 [1,0,0,0,0,0|2,0,1]=4 40 B12R1.11 c1c(cc(nc1C#N)I)C(=O)O AB79512 [1,0,0,0,0,0|2,0,1]=4 41 B12R1.11 c1c(cc(nc1C(=O)O)I)C#N AB79258 [1,0,0,0,0,0|2,0,1]=4 42 B12R1.11 c1c(cc(nc1C=O)I)[N+](=O)[O-] AB78894 [1,0,0,0,0,0|2,0,1]=4 43 B12R1.11 c1c(cc(nc1C=O)[N+](=O)[O-])I AB79034 [1,0,0,0,0,0|2,0,1]=4 44 B12R1.11 c1c(cc(nc1CCl)I)[N+](=O)[O-] AB78409 [1,0,0,0,0,0|2,0,1]=4 45 B12R1.11 c1c(cc(nc1CCl)[N+](=O)[O-])I AB78586 [1,0,0,0,0,0|2,0,1]=4 46 B12R1.11 c1c(cc(nc1CN)I)[N+](=O)[O-] AB80099 [1,0,0,0,0,0|1,0,2]=4 47 B12R1.11 c1c(cc(nc1CN)[N+](=O)[O-])I AB80279 [1,0,0,0,0,0|1,0,2]=4 48 B12R1.11 c1c(cc(nc1[N+](=O)[O-])I)C=O AB79155 [1,0,0,0,0,0|2,0,1]=4 49 B12R1.11 c1c(cc(nc1[N+](=O)[O-])I)CCl AB78739 [1,0,0,0,0,0|2,0,1]=4 50 B12R1.11 c1c(cc(nc1[N+](=O)[O-])I)CN AB80463 [1,0,0,0,0,0|1,0,2]=4 51 B12R1.56 Cc1ccc(cc1C#N)[N+](=O)[O-] CB10110 [1,0,0,0,0,0|1,0,0]=2 52 B12R1.56 Cc1ccc(cc1C=O)[N+](=O)[O-] AB16456 [1,0,0,0,0,0|2,0,1]=4 53 B12R1.56 Cc1ccc(cc1CO)[N+](=O)[O-] AB05008 [1,0,0,0,0,0|2,0,1]=4 54 B12R1.56 c1c(cnc(c1C#N)Cl)[N+](=O)[O-] AB30621 [1,0,0,0,0,0|2,0,0]=3 55 B12R1.56 c1c(cnc(c1C#N)O)[N+](=O)[O-] AB30598 [1,0,0,0,0,0|2,0,0]=3 56 B12R1.56 c1cc(c(cc1C(=O)N)C#N)O MB26383 [1,0,0,0,0,0|3,0,0]=4 57 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O MB08388 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C#N)Cl AB00870 [1,0,0,0,0,0|1,0,0]=2 59 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C#N)F AB01914 [1,0,0,0,0,0|1,0,0]=2 60 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C=O)N AB52848 [1,0,0,0,0,0|1,0,1]=3 61 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CBr)Cl AB08393 [1,0,0,0,0,0|2,0,1]=4 62 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CBr)F MB05086 [1,0,0,0,0,0|2,0,1]=4 63 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CO)N AB52850 [1,0,0,0,0,0|1,0,1]=3 64 B12R1.1005 Cc1cc(cc(c1N)I)[N+](=O)[O-] MB00587 [1,0,0,0,0,0|0,0,1]=2 65 B12R1.1005 c1c(cc(c(c1Br)Br)Br)[N+](=O)[O-] AB11946 [1,0,0,0,0,0|2,1,0]=4 66 B14R1.14211 c1c(cc(c(c1C(=O)O)N)Cl)[N+](=O)[O-] AB23261 [0,1,0,0,0,0|1,1,1]=4 67 B11R1.9 Cc1cc(cc(c1)C#N)C=O AB75471 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.9 c1c(cc(cc1C#N)Br)C=O AB50042 [2,0,0,0,0,0|1,1,0]=4 69 B11R1.9 c1c(cc(cc1C#N)Cl)C=O AB75551 [2,0,0,0,0,0|1,1,0]=4 70 B11R1.9 c1c(cc(cc1C#N)F)C=O AB21501 [2,0,0,0,0,0|1,1,0]=4 71 B11R1.9 c1c(cc(cc1C#N)I)C=O AB77653 [2,0,0,0,0,0|1,0,0]=3 72 B11R1.9 c1c(cc(cc1C#N)I)CCl AB77553 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.9 c1c(cc(cc1C#N)I)CN AB77862 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.9 c1c(cc(cc1C#N)O)C=O AB71636 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.9 c1c(cc(nc1C#N)I)C=O AB79152 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.9 c1c(cc(nc1C=O)C#N)I AB79030 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.9 c1c(cc(nc1C=O)I)C#N AB78890 [2,0,0,0,0,0|2,0,0]=4 78 B11R1.74 Cc1cc(cc(c1)Br)[N+](=O)[O-] AB26378 [2,0,0,0,0,0|0,1,1]=4 79 B11R1.74 c1c(cc(cc1Br)I)[N+](=O)[O-] CB11755 [2,0,0,0,0,0|1,0,0]=3 80 B11R1.266 C#Cc1cccc(c1)[N+](=O)[O-] AB11482 [2,0,0,0,0,0|1,0,0]=3 81 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN AB14090 [2,0,0,0,0,0|0,0,2]=4 82 B11R1.21 Cc1cc(cnc1N)[N+](=O)[O-] AB13441 [2,0,0,0,0,0|1,0,1]=4 83 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] AB01960 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.21 c1c(cnc(c1Br)N)[N+](=O)[O-] AB07738 [2,0,0,0,0,0|1,1,0]=4 85 B11R1.21 c1c(cnc(c1I)N)[N+](=O)[O-] MB04488 [2,0,0,0,0,0|1,0,0]=3 86 B11R1.21 c1c(cnc(c1N)N)[N+](=O)[O-] AB60270 [2,0,0,0,0,0|1,0,1]=4 87 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)N AB01462 [2,0,0,0,0,0|0,1,0]=3 88 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Br MB00446 [2,0,0,0,0,0|1,1,0]=4 89 B11R1.280 COc1ccc(c(c1)C#N)N MB03446 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.280 c1cc(c(cc1C=O)C#N)F CB10572 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.280 c1cc(c(cc1C=O)C#N)O MB25655 [2,0,0,0,0,0|2,0,0]=4 92 B11R1.8 Cc1cc(c(c(c1)C#N)N)C AB43888 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.8 c1c(cc(c(c1C#N)N)Cl)N AB48593 [2,0,0,0,0,0|0,1,1]=4 94 B13R1.31 c1c(cc(cc1[N+](=O)[O-])I)CCN AB78222 [1,1,0,0,0,0|0,0,2]=4 95 B13R1.57 c1c(cc(cc1S(=O)(=O)Cl)I)C#N AB78000 [1,1,0,0,0,0|1,0,1]=4 96 B13R1.126 CC(=O)c1cc(cc(c1)I)[N+](=O)[O-] AB77776 [1,1,0,0,0,0|1,0,1]=4 97 B13R1.126 c1c(cc(cc1[N+](=O)[O-])I)C(=O)O PB10072 [1,1,0,0,0,0|1,0,1]=4 98 B13R1.313 c1c(cc(cc1C#N)[N+](=O)[O-])C=O AB71870 [1,1,0,0,0,0|1,0,0]=3 99 B13R1.313 c1c(cc(cc1C#N)[N+](=O)[O-])CCl AB71869 [1,1,0,0,0,0|0,1,0]=3 100 B13R1.313 c1c(cc(cc1C#N)[N+](=O)[O-])CN AB71872 [1,1,0,0,0,0|1,0,0]=3 101 B13R1.313 c1c(cc(nc1C#N)[N+](=O)[O-])C=O AB79170 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.313 c1c(cc(nc1C#N)[N+](=O)[O-])CCl AB78759 [1,1,0,0,0,0|1,1,0]=4 103 B13R1.313 c1c(cc(nc1C#N)[N+](=O)[O-])CN AB80480 [1,1,0,0,0,0|2,0,0]=4 104 B13R1.313 c1c(cc(nc1C=O)C#N)[N+](=O)[O-] AB78913 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.313 c1c(cc(nc1C=O)[N+](=O)[O-])C#N AB79042 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.313 c1c(cc(nc1CCl)C#N)[N+](=O)[O-] AB78427 [1,1,0,0,0,0|1,1,0]=4 107 B13R1.313 c1c(cc(nc1CCl)[N+](=O)[O-])C#N AB78606 [1,1,0,0,0,0|1,1,0]=4 108 B13R1.313 c1c(cc(nc1CN)C#N)[N+](=O)[O-] AB80115 [1,1,0,0,0,0|2,0,0]=4 109 B13R1.313 c1c(cc(nc1CN)[N+](=O)[O-])C#N AB80299 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.13 CC(=O)c1cc(ccc1N)[N+](=O)[O-] CB10133 [1,1,0,0,0,0|1,0,1]=4 111 B13R1.354 Cc1ccc(cc1CC#N)[N+](=O)[O-] AB53052 [1,1,0,0,0,0|1,0,0]=3 112 B13R1.3091 c1cc(c(cc1[N+](=O)[O-])C#N)CBr MB05665 [1,1,0,0,0,0|1,0,0]=3 113 B13R1.3230 c1cc(c(c(c1[N+](=O)[O-])F)C#N)F AB01912 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.2430 c1cc(c(cc1C#N)[N+](=O)[O-])C=O AB58394 [0,0,1,1,0,0|2,0,0]=4 115 B11R1.48 Cn1cc(cc1C#N)[N+](=O)[O-] AB50301 [1,0,0,0,1,0|2,0,0]=4 116 B13R1.56 c1c(cc(cc1C#N)I)CC(=O)O AB78101 [1,0,0,0,0,1|1,0,1]=4