0 B12R2.18 CC1c2ccccc2NC1=O H27662 [1,0,0,0,0,0|2,0,0]=3 1 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.18 Cn1c2ccccc2nc1Br H60075 [1,0,0,0,0,0|2,0,1]=4 3 B12R2.18 Cn1c2ccccc2nc1Cl H63559 [1,0,0,0,0,0|2,0,1]=4 4 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [1,0,0,0,0,0|1,0,1]=3 5 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br H66848 [1,0,0,0,0,0|2,1,0]=4 6 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl B21036 [1,0,0,0,0,0|2,1,0]=4 7 B12R2.606 Cc1cc2cc(ccc2[nH]1)F H66121 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.606 Cc1cc2cc(ccc2[nH]1)N B21694 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.606 Cc1cc2cc(ccc2[nH]1)O H35580 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.606 Cc1ccc2c(c1)[nH]c(=S)o2 B20515 [1,0,0,0,0,0|2,1,0]=4 11 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C H66874 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.606 Cc1ccc2c(c1)nc([nH]2)S A11192 [1,0,0,0,0,0|1,1,1]=4 13 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 H50573 [1,0,0,0,0,0|1,1,0]=3 14 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 H56012 [1,0,0,0,0,0|1,1,0]=3 15 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 H33984 [1,0,0,0,0,0|1,1,0]=3 16 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 H60385 [1,0,0,0,0,0|1,1,0]=3 17 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 A19210 [1,0,0,0,0,0|1,1,0]=3 18 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 A19674 [1,0,0,0,0,0|1,1,0]=3 19 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 B24507 [1,0,0,0,0,0|1,1,0]=3 20 B12R2.606 c1cc2c(cc1Cl)nc([nH]2)S A19852 [1,0,0,0,0,0|0,2,1]=4 21 B12R2.606 c1cc2c(cc1F)CC(=O)N2 H32176 [1,0,0,0,0,0|1,0,0]=2 22 B12R2.606 c1cc2c(cc1F)nc(o2)S H31825 [1,0,0,0,0,0|1,1,1]=4 23 B12R2.606 c1cc2c(cc1F)nc(s2)N H51022 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.606 c1cc2c(cc1F)sc(n2)Cl H32383 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.606 c1cc2c(cc1F)sc(n2)N A18383 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.606 c1cc2c(cc1I)nc([nH]2)Cl H64529 [1,0,0,0,0,0|1,1,1]=4 27 B12R2.606 c1cc2c(cc1N)nc([nH]2)S H26999 [1,0,0,0,0,0|1,1,1]=4 28 B12R2.612 Cn1cnc2c1ccc(c2)N H66465 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)O H25953 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.20 c1cc(ccc1C(C(=O)O)Br)F H66692 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.20 c1cc(ccc1C(C(=O)O)N)F L18932 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br A12978 [0,0,1,0,0,0|2,1,0]=4 33 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl B24264 [0,0,1,0,0,0|2,1,0]=4 34 B12R1.20 c1cc(ccc1C(C(=O)O)O)F A13391 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.20 c1cc(ccc1C(C(=O)O)O)O L05916 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F H61495 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.50 c1cc(cc(c1)Cl)NC(=S)NN L11610 [0,0,1,0,0,0|1,2,0]=4 38 B12R1.50 c1cc(cc(c1)F)NC(=S)NN L11652 [0,0,1,0,0,0|1,1,0]=3 39 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O L20266 [0,0,1,0,0,0|2,0,1]=4 40 B14R2.8239 c1cc2c(cc1Cl)[nH]c(=O)c(=O)[nH]2 L14038 [0,0,0,0,0,1|1,1,1]=4 41 B11R1.20 CC(=O)Cc1ccc(cc1)F L11720 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.20 CC(=O)Nc1ccc(cc1)Br L02924 [1,0,1,0,0,0|1,1,0]=4 43 B11R1.20 CC(=O)Nc1ccc(cc1)Cl A11214 [1,0,1,0,0,0|1,1,0]=4 44 B11R1.20 CC(=O)Nc1ccc(cc1)F A18974 [1,0,1,0,0,0|1,0,0]=3 45 B11R1.20 CC(=O)Nc1ccc(cc1)N A13937 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.20 CC(=O)Nc1ccc(cc1)N B20740 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.20 CC(=O)Nc1ccc(cc1)S B23932 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.20 CC(=O)Oc1ccc(cc1)F B21356 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.20 Cc1ccc(cc1)NC(=O)C A13721 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.20 Cc1ccc(cc1)NC(=O)N A11150 [1,0,1,0,0,0|1,0,0]=3 52 B11R1.20 Cc1ccc(cc1)NC(=S)N A11098 [1,0,1,0,0,0|1,1,0]=4 53 B11R1.20 c1cc(ccc1CC(=O)Cl)F L19235 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.20 c1cc(ccc1CC(=O)N)O A15266 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.20 c1cc(ccc1CC(=O)O)F A10646 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.20 c1cc(ccc1NC(=O)N)Br L11074 [1,0,1,0,0,0|0,1,0]=3 57 B11R1.20 c1cc(ccc1NC(=O)N)Cl B25090 [1,0,1,0,0,0|0,1,0]=3 58 B11R1.20 c1cc(ccc1NC(=O)N)F L01314 [1,0,1,0,0,0|0,0,0]=2 59 B11R1.20 c1cc(ccc1NC(=S)N)Br L11163 [1,0,1,0,0,0|0,2,0]=4 60 B11R1.20 c1cc(ccc1NC(=S)N)Cl A12651 [1,0,1,0,0,0|0,2,0]=4 61 B11R1.20 c1cc(ccc1NC(=S)N)F L11159 [1,0,1,0,0,0|0,1,0]=3 62 B11R1.20 c1cc(ccc1NC(=S)N)O L12537 [1,0,1,0,0,0|1,1,0]=4 63 B11R1.20 c1cc(ncc1F)NC(=S)N H33831 [1,0,1,0,0,0|1,1,0]=4 64 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.36 CN(c1ccccc1)C(=S)N B20824 [1,0,1,0,0,0|1,1,0]=4 66 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [1,0,1,0,0,0|1,0,0]=3 67 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [1,0,1,0,0,0|1,0,0]=3 74 B11R1.40 c1ccc(cc1)NC(=S)NN A15349 [1,0,1,0,0,0|1,1,0]=4 75 B11R1.157 CC(=O)Cc1cccc(c1)F B22061 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.157 CC(=O)Nc1cccc(c1)Cl A14921 [1,0,1,0,0,0|1,1,0]=4 77 B11R1.157 CC(=O)Nc1cccc(c1)F B22889 [1,0,1,0,0,0|1,0,0]=3 78 B11R1.157 CC(=O)Nc1cccc(c1)N H60629 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.157 CC(=O)Nc1cccc(c1)O A12764 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.157 CC(=O)Oc1cccc(c1)F L13465 [1,0,1,0,0,0|2,0,0]=4 81 B11R1.157 Cc1cccc(c1)CC(=O)O A17743 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.157 Cc1cccc(c1)NC(=O)N B20749 [1,0,1,0,0,0|1,0,0]=3 83 B11R1.157 c1cc(cc(c1)Br)CC(=O)O B20758 [1,0,1,0,0,0|1,1,0]=4 84 B11R1.157 c1cc(cc(c1)Br)NC(=O)N L11370 [1,0,1,0,0,0|0,1,0]=3 85 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O A11210 [1,0,1,0,0,0|1,1,0]=4 86 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N L07123 [1,0,1,0,0,0|0,2,0]=4 87 B11R1.157 c1cc(cc(c1)F)CC(=O)O A15635 [1,0,1,0,0,0|1,0,0]=3 88 B11R1.157 c1cc(cc(c1)F)NC(=S)N L09538 [1,0,1,0,0,0|0,1,0]=3 89 B11R1.157 c1cc(cc(c1)I)CC(=O)O L15117 [1,0,1,0,0,0|1,1,0]=4 90 B11R1.157 c1cc(cc(c1)O)CC(=O)O B23563 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.157 c1cc(cc(c1)O)NC(=S)N L09975 [1,0,1,0,0,0|1,1,0]=4 92 B11R1.37 COc1ccc(cc1C=O)F B24684 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [1,0,1,0,0,0|1,1,0]=4 95 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [1,0,1,0,0,0|1,1,0]=4 96 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [1,0,1,0,0,0|2,0,0]=4 98 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [1,0,1,0,0,0|1,0,0]=3 101 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] H61806 [1,0,1,0,0,0|0,0,2]=4 102 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [1,0,1,0,0,0|2,0,0]=4 103 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.1 Cn1ccc2c1cccc2 A12605 [2,0,0,0,0,0|2,0,0]=4 105 B11R2.1 Cn1cnc2c1cccc2 B25472 [2,0,0,0,0,0|1,0,1]=4 106 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [2,0,0,0,0,0|2,0,0]=4 107 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [2,0,0,0,0,0|1,0,1]=4 108 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [2,0,0,0,0,0|2,0,0]=4 109 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 H66234 [2,0,0,0,0,0|2,0,0]=4 110 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [2,0,0,0,0,0|2,0,0]=4 111 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [2,0,0,0,0,0|1,0,0]=3 112 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [2,0,0,0,0,0|2,0,0]=4 113 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [2,0,0,0,0,0|1,0,0]=3 114 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br H26183 [2,0,0,0,0,0|1,0,1]=4 115 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A12193 [2,0,0,0,0,0|1,0,1]=4 116 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [2,0,0,0,0,0|1,0,1]=4 117 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [2,0,0,0,0,0|0,0,2]=4 118 B11R2.10 c1ccc2c(c1)[nH]c(n2)S A18350 [2,0,0,0,0,0|0,1,1]=4 119 B11R2.36 Cc1ccc2c(c1)cc[nH]2 L06893 [2,0,0,0,0,0|2,0,0]=4 120 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A15957 [2,0,0,0,0,0|1,0,1]=4 121 B11R2.36 Cc1ccc2cc[nH]c2c1 L17509 [2,0,0,0,0,0|2,0,0]=4 122 B11R2.36 c1cc(cc2c1cc[nH]2)Br L17703 [2,0,0,0,0,0|1,1,0]=4 123 B11R2.36 c1cc(cc2c1cc[nH]2)Cl B23650 [2,0,0,0,0,0|1,1,0]=4 124 B11R2.36 c1cc(cc2c1cc[nH]2)F B24633 [2,0,0,0,0,0|1,0,0]=3 125 B11R2.36 c1cc(cc2c1cc[nH]2)N L17793 [2,0,0,0,0,0|2,0,0]=4 126 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [2,0,0,0,0,0|2,0,0]=4 127 B11R2.36 c1cc2c(cc1F)CCN2 H54158 [2,0,0,0,0,0|1,0,1]=4 128 B11R2.36 c1cc2c(cc1F)cn[nH]2 H26033 [2,0,0,0,0,0|2,0,0]=4 129 B11R2.36 c1cc2c(cc[nH]2)cc1Br B20307 [2,0,0,0,0,0|1,1,0]=4 130 B11R2.36 c1cc2c(cc[nH]2)cc1Cl A13592 [2,0,0,0,0,0|1,1,0]=4 131 B11R2.36 c1cc2c(cc[nH]2)cc1F A15346 [2,0,0,0,0,0|1,0,0]=3 132 B11R2.36 c1cc2c(cc[nH]2)cc1I B20638 [2,0,0,0,0,0|1,1,0]=4 133 B11R2.36 c1cc2c(cc[nH]2)cc1N B24391 [2,0,0,0,0,0|2,0,0]=4 134 B11R2.36 c1cc2c(cc[nH]2)cc1O L00858 [2,0,0,0,0,0|2,0,0]=4 135 B13R1.163 CC(=O)N(C)c1ccc(cc1F)F B24935 [0,1,1,0,0,0|2,0,0]=4 136 B13R1.163 c1cc(c(cc1F)F)C(C(=O)O)O L10708 [0,1,1,0,0,0|2,0,0]=4 137 B13R1.510 c1cc(c(cc1C(C(=O)O)O)F)F L10982 [0,1,1,0,0,0|2,0,0]=4 138 B13R2.45 Cc1c2ccccc2[nH]c1C=O H66393 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.45 Cn1c2ccccc2nc1C=O B25601 [1,1,0,0,0,0|1,0,1]=4 140 B13R2.135 c1ccc2c(c1)\C(=N\O)\C(=O)N2 B22732 [1,1,0,0,0,0|1,0,0]=3 141 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 L08009 [1,1,0,0,0,0|1,0,1]=4 142 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A13641 [1,1,0,0,0,0|1,0,1]=4 143 B13R2.3028 c1cc2c(cc1Br)C(C(=O)N2)O A15869 [1,1,0,0,0,0|1,0,0]=3 144 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A13125 [1,1,0,0,0,0|1,0,1]=4 145 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 B20831 [1,1,0,0,0,0|1,0,1]=4 146 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 A14988 [1,1,0,0,0,0|1,0,1]=4 147 B13R2.3085 CN1c2ccccc2C(=O)C1=O A12942 [1,1,0,0,0,0|1,0,1]=4 148 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O H32843 [1,1,0,0,0,0|1,0,1]=4 149 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O H55594 [1,1,0,0,0,0|1,0,1]=4 150 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O H26827 [1,1,0,0,0,0|1,0,1]=4 151 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O H52344 [1,1,0,0,0,0|1,0,1]=4 152 B13R2.2121 COc1ccc2c(c1)[nH]c(=O)[nH]2 B22580 [1,1,0,0,0,0|1,0,0]=3 153 B13R2.2121 COc1ccc2c(c1)oc(=O)[nH]2 L05349 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.13083 Cc1cc2c(cc1C)[nH]c(=O)[nH]2 A15421 [1,1,0,0,0,0|1,0,0]=3 155 B13R2.13083 c1c2c(cc(c1Cl)F)nc([nH]2)S A15367 [1,1,0,0,0,0|0,1,1]=4 156 B13R2.662 c1cc2c(cc1F)[nH]cc2C=O H61665 [1,1,0,0,0,0|1,0,1]=4 157 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 H27493 [0,0,1,1,0,0|1,1,0]=4 158 B13R2.2136 c1cc2c(cc1F)c(c[nH]2)C=O L17507 [0,0,1,1,0,0|2,0,0]=4 159 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [0,0,1,0,1,0|2,0,0]=4 160 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [0,0,1,0,1,0|1,1,0]=4 161 B11R1.23 Cc1cccc(c1)C(=O)NC H56299 [0,0,1,0,1,0|2,0,0]=4 162 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [0,0,1,0,1,0|2,0,0]=4 163 B11R1.23 c1cc(cc(c1)Br)C(=O)NN A19628 [0,0,1,0,1,0|1,1,0]=4 164 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [0,0,1,0,1,0|1,1,0]=4 165 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO L00286 [0,0,1,0,1,0|1,1,0]=4 166 B11R1.23 c1cc(cc(c1)F)C(=O)C=O L20278 [0,0,1,0,1,0|1,0,1]=4 167 B11R1.23 c1cc(cc(c1)N)C(=O)NN A11491 [0,0,1,0,1,0|2,0,0]=4 168 B11R1.23 c1cc(cc(c1)O)C(=O)NN L04357 [0,0,1,0,1,0|2,0,0]=4 169 B13R2.32 CN1c2ccccc2OCC1=O H27196 [1,0,0,0,0,1|2,0,0]=4 170 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [1,0,0,0,0,1|2,0,0]=4 171 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [1,0,0,0,0,1|1,0,1]=4 172 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [1,0,0,0,0,1|2,0,0]=4 173 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [1,0,0,0,0,1|2,0,0]=4 174 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [1,0,0,0,0,1|2,0,0]=4 175 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [1,0,0,0,0,1|2,0,0]=4 176 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br H54095 [1,0,0,0,0,1|1,1,0]=4 177 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 H37968 [1,0,0,0,0,1|1,1,0]=4 178 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 H61082 [1,0,0,0,0,1|1,1,0]=4 179 B13R2.3683 c1cc2c(cc1Br)SCC(=O)N2 H27563 [1,0,0,0,0,1|1,1,0]=4 180 B13R2.3683 c1cc2c(cc1Cl)SCC(=O)N2 H27157 [1,0,0,0,0,1|1,1,0]=4 181 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 H31534 [1,0,0,0,0,1|2,0,0]=4