0 B9R1.1 CCc1ccc(cc1)N CUR-0101815 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 CCc1ccc(cc1)O CUR-0101831 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.1 CCc1ccc(nc1)C CUR-0101818 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 CNc1ccc(cc1)O CUR-0022262 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.1 CNc1ccc(cc1)O CUR-0101222 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.1 COc1ccc(cc1)Cl CUR-0048268 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.1 COc1ccc(cc1)F CUR-0101887 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 COc1ccc(cc1)I CUR-0103822 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.1 COc1ccc(cc1)N CUR-0100837 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.1 COc1ccc(cc1)O CUR-0028796 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.1 COc1ccc(cc1)S CUR-0102143 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.1 COc1ccc(cn1)N CUR-0003326 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.1 CSc1ccc(cc1)N CUR-0102131 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.1 Cc1ccc(cc1)C#N CUR-0014965 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.1 Cc1ccc(cc1)C=C CUR-0101785 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.1 Cc1ccc(cc1)C=O CUR-0006736 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.1 Cc1ccc(cc1)CCl CUR-0102151 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.1 Cc1ccc(cc1)CN CUR-0101819 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.1 Cc1ccc(cc1)NN CUR-0013436 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.1 Cc1ccc(cc1)NN CUR-0101391 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.1 Cc1ccc(cc1)NN CUR-0102589 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.1 Cc1ccc(cc1)OC CUR-0101834 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.1 Cc1cnc(cn1)CCl CUR-0022147 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.1 Cc1cnc(cn1)CN CUR-0015138 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.1 Cc1cnc(cn1)CO CUR-0083373 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.1 c1cc(ccc1C#N)Br CUR-0103110 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.1 c1cc(ccc1C#N)Cl CUR-0102105 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.1 c1cc(ccc1C#N)F CUR-0022534 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.1 c1cc(ccc1C#N)N CUR-0101775 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.1 c1cc(ccc1C#N)O CUR-0011114 [0,0,0,0,0,0|1,0,1]=2 30 B9R1.1 c1cc(ccc1C=O)Br CUR-0103167 [0,0,0,0,0,0|1,0,2]=3 31 B9R1.1 c1cc(ccc1C=O)Cl CUR-0017463 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.1 c1cc(ccc1C=O)F CUR-0100769 [0,0,0,0,0,0|1,0,2]=3 33 B9R1.1 c1cc(ccc1C=O)I CUR-0046448 [0,0,0,0,0,0|1,0,2]=3 34 B9R1.1 c1cc(ccc1C=O)O CUR-0004120 [0,0,0,0,0,0|0,0,2]=2 35 B9R1.1 c1cc(ccc1CBr)Br CUR-0103921 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.1 c1cc(ccc1CBr)F CUR-0103233 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.1 c1cc(ccc1CCl)Br CUR-0048248 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.1 c1cc(ccc1CCl)Cl CUR-0100970 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.1 c1cc(ccc1CCl)F CUR-0100845 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.1 c1cc(ccc1CCl)N CUR-0101273 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.1 c1cc(ccc1CN)Br CUR-0103189 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.1 c1cc(ccc1CN)Cl CUR-0102174 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.1 c1cc(ccc1CN)F CUR-0005028 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.1 c1cc(ccc1CN)N CUR-0038242 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.1 c1cc(ccc1CN)O CUR-0100730 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.1 c1cc(ccc1NN)F CUR-0019213 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.1 c1cc(ccc1NN)F CUR-0101390 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.1 c1cc(ccc1[N+]#N)F CUR-0063125 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.1 c1cc(ncc1C#N)Cl CUR-0008955 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.1 c1cc(ncc1C#N)N CUR-0101791 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.1 c1cc(ncc1CCl)Cl CUR-0011333 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.2 C#Cc1ccccc1 CUR-0028923 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.2 C=Cc1ccccc1 CUR-0016228 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.2 C=Cc1ccccn1 CUR-0101649 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.2 C=Cc1ccncc1 CUR-0007620 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 CCc1ccccc1 CUR-0101653 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.2 CNc1ccccc1 CUR-0101656 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 COc1ccccc1 CUR-0026843 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 COc1ccncc1 CUR-0101402 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 CSc1ccccc1 CUR-0101870 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 c1c(cncn1)CO CUR-0046551 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 c1cc(cnc1)C#N CUR-0019652 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 c1cc(cnc1)C=O CUR-0007220 [1,0,0,0,0,0|1,0,2]=4 64 B8R1.2 c1cc(cnc1)CCl CUR-0002750 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 c1cc(cnc1)CN CUR-0027066 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 c1cc(cnc1)CO CUR-0101674 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.2 c1ccc(cc1)C#N CUR-0014272 [1,0,0,0,0,0|1,0,1]=3 68 B8R1.2 c1ccc(cc1)C=O CUR-0027632 [1,0,0,0,0,0|0,0,2]=3 69 B8R1.2 c1ccc(cc1)CBr CUR-0024935 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.2 c1ccc(cc1)CCl CUR-0014141 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.2 c1ccc(cc1)CN CUR-0009810 [1,0,0,0,0,0|1,0,0]=2 72 B8R1.2 c1ccc(cc1)CN CUR-0101294 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.2 c1ccc(cc1)CO CUR-0002024 [1,0,0,0,0,0|0,0,0]=1 74 B8R1.2 c1ccc(cc1)CS CUR-0005953 [1,0,0,0,0,0|0,1,0]=2 75 B8R1.2 c1ccc(cc1)NN CUR-0008900 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 c1ccc(cc1)NN CUR-0101278 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 c1ccnc(c1)C#N CUR-0017142 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.2 c1ccnc(c1)C=O CUR-0011586 [1,0,0,0,0,0|1,0,2]=4 79 B8R1.2 c1ccnc(c1)CCl CUR-0006464 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 c1ccnc(c1)CN CUR-0101659 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.2 c1ccnc(c1)CO CUR-0101669 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.2 c1ccnc(c1)NN CUR-0101675 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 c1cnccc1C#N CUR-0026031 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.2 c1cnccc1C=O CUR-0023499 [1,0,0,0,0,0|1,0,2]=4 85 B8R1.2 c1cnccc1CCl CUR-0005638 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.2 c1cnccc1CN CUR-0101658 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.2 c1cnccc1CO CUR-0101670 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.2 c1cnccc1NN CUR-0097304 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.3 C1=CC(=O)C=CC1=O CUR-0018403 [1,0,0,0,0,0|0,0,2]=3 90 B8R1.3 Cc1cc[n+](cc1)[O-] CUR-0021329 [1,0,0,0,0,0|1,0,1]=3 91 B8R1.3 Cc1ccc(=O)[nH]n1 CUR-0021706 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.3 Cc1ccc(cc1)Br CUR-0014363 [1,0,0,0,0,0|1,0,0]=2 93 B8R1.3 Cc1ccc(cc1)C CUR-0100820 [1,0,0,0,0,0|1,0,0]=2 94 B8R1.3 Cc1ccc(cc1)Cl CUR-0101900 [1,0,0,0,0,0|1,0,0]=2 95 B8R1.3 Cc1ccc(cc1)F CUR-0101681 [1,0,0,0,0,0|1,0,0]=2 96 B8R1.3 Cc1ccc(cc1)N CUR-0021477 [1,0,0,0,0,0|1,0,0]=2 97 B8R1.3 Cc1ccc(cc1)N CUR-0101286 [1,0,0,0,0,0|1,0,0]=2 98 B8R1.3 Cc1ccc(cc1)O CUR-0101071 [1,0,0,0,0,0|0,0,0]=1 99 B8R1.3 Cc1ccc(cc1)S CUR-0015249 [1,0,0,0,0,0|0,1,0]=2 100 B8R1.3 Cc1ccc(cn1)O CUR-0101672 [1,0,0,0,0,0|1,0,0]=2 101 B8R1.3 Cc1ccc(nc1)Cl CUR-0101909 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.3 Cc1ccc(nc1)N CUR-0101661 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.3 Cc1ccc(nn1)Cl CUR-0023772 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.3 Cc1cnc(cn1)C CUR-0024462 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.3 c1cc(ccc1Cl)Br CUR-0103299 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.3 c1cc(ccc1Cl)Cl CUR-0025513 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.3 c1cc(ccc1Cl)I CUR-0103857 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.3 c1cc(ccc1F)F CUR-0101716 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.3 c1cc(ccc1F)I CUR-0100862 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.3 c1cc(ccc1F)S CUR-0101922 [1,0,0,0,0,0|1,1,0]=3 111 B8R1.3 c1cc(ccc1N)Br CUR-0001862 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.3 c1cc(ccc1N)Cl CUR-0009983 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.3 c1cc(ccc1N)F CUR-0025311 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.3 c1cc(ccc1N)F CUR-0101313 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.3 c1cc(ccc1N)I CUR-0103680 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.3 c1cc(ccc1N)N CUR-0007726 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.3 c1cc(ccc1N)N CUR-0101209 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.3 c1cc(ccc1N)O CUR-0005141 [1,0,0,0,0,0|1,0,0]=2 119 B8R1.3 c1cc(ccc1N)S CUR-0101879 [1,0,0,0,0,0|1,1,0]=3 120 B8R1.3 c1cc(ccc1O)Br CUR-0026065 [1,0,0,0,0,0|1,0,0]=2 121 B8R1.3 c1cc(ccc1O)Cl CUR-0002073 [1,0,0,0,0,0|1,0,0]=2 122 B8R1.3 c1cc(ccc1O)F CUR-0015998 [1,0,0,0,0,0|1,0,0]=2 123 B8R1.3 c1cc(ccc1O)I CUR-0103689 [1,0,0,0,0,0|1,0,0]=2 124 B8R1.3 c1cc(ccc1O)O CUR-0028052 [1,0,0,0,0,0|0,0,0]=1 125 B8R1.3 c1cc(ccc1O)S CUR-0101891 [1,0,0,0,0,0|0,1,0]=2 126 B8R1.3 c1cc(ccc1S)Br CUR-0017458 [1,0,0,0,0,0|1,1,0]=3 127 B8R1.3 c1cc(ccc1S)Cl CUR-0102245 [1,0,0,0,0,0|1,1,0]=3 128 B8R1.3 c1cc(ncc1Br)Br CUR-0103845 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.3 c1cc(ncc1Br)Cl CUR-0103313 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.3 c1cc(ncc1Cl)Cl CUR-0102306 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.3 c1cc(ncc1Cl)N CUR-0013159 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.3 c1cc(ncc1F)Cl CUR-0101984 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.3 c1cc(ncc1I)Cl CUR-0103864 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.3 c1cc(ncc1N)Cl CUR-0101934 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.1 CCOc1ccc(cc1)N CUR-0022033 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.1 CCOc1ccc(cc1)N CUR-0101205 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.1 CCOc1ccc(cc1)O CUR-0102108 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.1 CNCc1ccc(=O)[nH]c1 CUR-0153395 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.1 Cc1ccc(cc1)CC#N CUR-0101981 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.1 Cc1ccc(cc1)CNN CUR-0119958 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.1 Cc1ccc(cc1)N=C=O CUR-0102008 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.1 c1cc(ccc1CC#N)Br CUR-0101290 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.1 c1cc(ccc1CC#N)Cl CUR-0016177 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.1 c1cc(ccc1CC#N)F CUR-0102050 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.1 c1cc(ccc1CCBr)Br CUR-0048359 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.1 c1cc(ccc1CCN)Cl CUR-0102529 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.1 c1cc(ccc1CCN)F CUR-0102128 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.1 c1cc(ccc1CCO)Br CUR-0103457 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.1 c1cc(ccc1CCO)Cl CUR-0046489 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.1 c1cc(ccc1CCO)F CUR-0102141 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.1 c1cc(ccc1CCO)N CUR-0102103 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.1 c1cc(ccc1CCO)O CUR-0102110 [0,1,0,0,0,0|0,0,0]=1 153 B10R1.1 c1cc(ccc1CNN)Cl CUR-0098842 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.1 c1cc(ccc1CNN)F CUR-0097664 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.1 c1cc(ccc1N=C=O)Cl CUR-0102474 [0,1,0,0,0,0|1,0,2]=4 156 B10R1.1 c1cc(ccc1N=C=O)F CUR-0102087 [0,1,0,0,0,0|1,0,2]=4 157 B10R1.1 c1cc(ccc1N=C=S)F CUR-0102465 [0,1,0,0,0,0|1,1,1]=4 158 B10R1.3 CCc1ccc(cc1)C=O CUR-0102034 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.3 CNc1ccc(cc1)NC CUR-0101288 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.3 COc1ccc(cc1)C#N CUR-0102006 [0,1,0,0,0,0|1,0,1]=3 161 B10R1.3 COc1ccc(cc1)C=O CUR-0100790 [0,1,0,0,0,0|0,0,2]=3 162 B10R1.3 COc1ccc(cc1)CCl CUR-0102548 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.3 COc1ccc(cc1)CN CUR-0102099 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.3 COc1ccc(cc1)CO CUR-0102114 [0,1,0,0,0,0|0,0,0]=1 165 B10R1.3 COc1ccc(cc1)NN CUR-0025100 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.3 COc1ccc(cc1)OC CUR-0102112 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.3 COc1ccc(cn1)CN CUR-0022526 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.3 COc1ccc(cn1)CN CUR-0100671 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.3 CSc1ccc(cc1)C=O CUR-0102441 [0,1,0,0,0,0|0,1,2]=4 170 B10R1.3 c1cc(ccc1CCl)C#N CUR-0102414 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.3 c1cc(ccc1CO)CO CUR-0005478 [0,1,0,0,0,0|0,0,0]=1 172 B10R1.13 B(c1ccc(cc1)F)(O)O CUR-0102134 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.13 CC(=O)c1ccc(cc1)Br CUR-0021132 [0,1,0,0,0,0|1,0,2]=4 174 B10R1.13 CC(=O)c1ccc(cc1)Cl CUR-0003490 [0,1,0,0,0,0|1,0,2]=4 175 B10R1.13 CC(=O)c1ccc(cc1)F CUR-0101069 [0,1,0,0,0,0|1,0,2]=4 176 B10R1.13 CC(=O)c1ccc(cc1)I CUR-0103903 [0,1,0,0,0,0|1,0,2]=4 177 B10R1.13 CC(=O)c1ccc(cc1)N CUR-0019746 [0,1,0,0,0,0|1,0,2]=4 178 B10R1.13 CC(=O)c1ccc(cc1)O CUR-0102066 [0,1,0,0,0,0|0,0,2]=3 179 B10R1.13 CC(C)c1ccc(cc1)N CUR-0102054 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.13 CC(C)c1ccc(cc1)O CUR-0102075 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.13 CC(c1ccc(cc1)F)Cl CUR-0009756 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.13 CN(C)c1ccc(cc1)Br CUR-0007999 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.13 CN(C)c1ccc(cc1)N CUR-0025717 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.13 Cc1ccc(cc1)C(=O)C CUR-0102036 [0,1,0,0,0,0|1,0,2]=4 185 B10R1.13 Cc1ccc(cc1)C(=O)Cl CUR-0102507 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.13 Cc1ccc(cc1)C(=O)N CUR-0074413 [0,1,0,0,0,0|1,0,2]=4 187 B10R1.13 Cc1ccc(cc1)C(=O)O CUR-0027993 [0,1,0,0,0,0|1,0,1]=3 188 B10R1.13 Cc1ccc(cc1)C(C)C CUR-0017683 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.13 Cc1ccc(cc1)S(=O)[O-] CUR-0103028 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CUR-0019978 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.13 Cc1ccc(cn1)C(=O)O CUR-0027045 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] CUR-0023947 [0,1,0,0,0,0|1,0,2]=4 193 B10R1.13 c1cc(ccc1C(=N)N)F CUR-0101039 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CUR-0101019 [0,1,0,0,0,0|1,0,2]=4 195 B10R1.13 c1cc(ccc1C(=O)Cl)F CUR-0031249 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.13 c1cc(ccc1C(=O)N)F CUR-0027144 [0,1,0,0,0,0|1,0,2]=4 197 B10R1.13 c1cc(ccc1C(=O)N)N CUR-0102073 [0,1,0,0,0,0|1,0,2]=4 198 B10R1.13 c1cc(ccc1C(=O)O)Br CUR-0103454 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.13 c1cc(ccc1C(=O)O)Cl CUR-0026281 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.13 c1cc(ccc1C(=O)O)F CUR-0017879 [0,1,0,0,0,0|1,0,1]=3 201 B10R1.13 c1cc(ccc1C(=O)O)I CUR-0103911 [0,1,0,0,0,0|1,0,1]=3 202 B10R1.13 c1cc(ccc1C(=O)O)N CUR-0100805 [0,1,0,0,0,0|1,0,1]=3 203 B10R1.13 c1cc(ccc1C(=O)O)O CUR-0018863 [0,1,0,0,0,0|0,0,1]=2 204 B10R1.13 c1cc(ccc1C(=O)O)S CUR-0102495 [0,1,0,0,0,0|0,1,1]=3 205 B10R1.13 c1cc(ccc1C(=O)[O-])N CUR-0100802 [0,1,0,0,0,0|1,0,2]=4 206 B10R1.13 c1cc(ccc1C(=S)N)Cl CUR-0102889 [0,1,0,0,0,0|1,1,1]=4 207 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] CUR-0006863 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl CUR-0011704 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.13 c1cc(ccc1[N+](=O)[O-])F CUR-0008886 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CUR-0002463 [0,1,0,0,0,0|1,0,1]=3 211 B10R1.13 c1cc(ccc1[N+](=O)[O-])[O-] CUR-0101214 [0,1,0,0,0,0|1,0,2]=4 212 B10R1.13 c1cc(ncc1Br)C(=O)O CUR-0096819 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.13 c1cc(ncc1C(=O)O)Br CUR-0103474 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.13 c1cc(ncc1C(=O)O)Cl CUR-0028761 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.13 c1cc(ncc1C(=O)O)N CUR-0021314 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.13 c1cc(ncc1O)C(=O)O CUR-0097393 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.25 COc1ccc(cc1Cl)N CUR-0102564 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.25 COc1ccc(cc1F)Br CUR-0006170 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.25 COc1ccc(cc1F)N CUR-0102162 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.25 COc1ccc(cc1N)Cl CUR-0022419 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.25 Cc1cc(ccc1NC)O CUR-0166214 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.25 Cc1ccc(c(c1)C)NN CUR-0102906 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.25 Cc1ccc(c(c1)Cl)C=O CUR-0102508 [0,1,0,0,0,0|1,0,2]=4 224 B10R1.25 Cc1ccc(c(c1)N)OC CUR-0102102 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.25 c1cc(c(cc1Br)F)C=O CUR-0103492 [0,1,0,0,0,0|1,0,2]=4 226 B10R1.25 c1cc(c(cc1Cl)Cl)C=O CUR-0101008 [0,1,0,0,0,0|1,0,2]=4 227 B10R1.25 c1cc(c(cc1Cl)Cl)CCl CUR-0103370 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.25 c1cc(c(cc1Cl)Cl)CN CUR-0102988 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.25 c1cc(c(cc1Cl)N)C#N CUR-0102448 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.25 c1cc(c(cc1F)Cl)C=O CUR-0102584 [0,1,0,0,0,0|1,0,2]=4 231 B10R1.25 c1cc(c(cc1F)F)C=O CUR-0102182 [0,1,0,0,0,0|1,0,2]=4 232 B10R1.25 c1cc(c(cc1F)F)CN CUR-0102213 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.25 c1cc(c(cc1O)O)C=O CUR-0097223 [0,1,0,0,0,0|0,0,2]=3 234 B10R1.176 Cc1cc(ccc1Br)OC CUR-0103458 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.176 Cc1cc(ccc1N)OC CUR-0018538 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.176 Cc1cc(cnc1O)C=O CUR-0122260 [0,1,0,0,0,0|1,0,2]=4 237 B10R1.176 Cc1ccc(cc1C)NN CUR-0102908 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.176 c1c(occ(c1=O)O)CCl CUR-0086647 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.176 c1c(occ(c1=O)O)CO CUR-0102183 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.176 c1cc(c(cc1C#N)O)O CUR-0102048 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.176 c1cc(c(cc1C=O)Br)F CUR-0103491 [0,1,0,0,0,0|1,0,2]=4 242 B10R1.176 c1cc(c(cc1C=O)Cl)Cl CUR-0102969 [0,1,0,0,0,0|1,0,2]=4 243 B10R1.176 c1cc(c(cc1C=O)F)F CUR-0102180 [0,1,0,0,0,0|1,0,2]=4 244 B10R1.176 c1cc(c(cc1C=O)O)O CUR-0000191 [0,1,0,0,0,0|0,0,2]=3 245 B10R1.176 c1cc(c(cc1CBr)Cl)Cl CUR-0103867 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.176 c1cc(c(cc1CN)O)O CUR-0097164 [0,1,0,0,0,0|1,0,0]=2 247 B8R1.1 CCc1ccc(s1)C CUR-0101897 [0,0,0,0,1,0|3,0,0]=4 248 B8R1.1 Cc1cc(n[nH]1)CO CUR-0029223 [0,0,0,0,1,0|3,0,0]=4 249 B8R1.1 Cn1cc(cn1)CO CUR-0097376 [0,0,0,0,1,0|3,0,0]=4 250 B8R1.1 Cn1cc(nc1)CO CUR-0073128 [0,0,0,0,1,0|3,0,0]=4 251 B8R1.1 c1c(nc(s1)N)CO CUR-0100722 [0,0,0,0,1,0|3,0,0]=4 252 B8R1.1 c1cc(sc1CCl)Cl CUR-0004445 [0,0,0,0,1,0|3,0,0]=4 253 B7R0.6 C(=C/C(=O)O)/C(=O)O CUR-0004106 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.6 C(=C\C(=O)O)/C(=O)O CUR-0100787 [1,0,1,0,0,0|2,0,0]=4 255 B7R1.3 Cc1ccccn1 CUR-0005465 [2,0,0,0,0,0|1,0,0]=3 256 B7R1.3 Cc1cccnc1 CUR-0100815 [2,0,0,0,0,0|1,0,0]=3 257 B7R1.3 Cc1ccncc1 CUR-0027079 [2,0,0,0,0,0|1,0,0]=3 258 B7R1.3 Cc1cnccn1 CUR-0100916 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 c1cc(cnc1)Br CUR-0009235 [2,0,0,0,0,0|2,0,0]=4 260 B7R1.3 c1cc(cnc1)F CUR-0101564 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.3 c1cc(cnc1)N CUR-0019682 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.3 c1cc(cnc1)O CUR-0101555 [2,0,0,0,0,0|1,0,0]=3 263 B7R1.3 c1cc[n+](cc1)[O-] CUR-0003254 [2,0,0,0,0,0|1,0,1]=4 264 B7R1.3 c1cc[nH]c(=O)c1 CUR-0101554 [2,0,0,0,0,0|1,0,1]=4 265 B7R1.3 c1ccc(cc1)Br CUR-0101195 [2,0,0,0,0,0|1,0,0]=3 266 B7R1.3 c1ccc(cc1)Cl CUR-0027821 [2,0,0,0,0,0|1,0,0]=3 267 B7R1.3 c1ccc(cc1)F CUR-0101403 [2,0,0,0,0,0|1,0,0]=3 268 B7R1.3 c1ccc(cc1)I CUR-0025654 [2,0,0,0,0,0|1,0,0]=3 269 B7R1.3 c1ccc(cc1)N CUR-0004820 [2,0,0,0,0,0|1,0,0]=3 270 B7R1.3 c1ccc(cc1)N CUR-0101212 [2,0,0,0,0,0|1,0,0]=3 271 B7R1.3 c1ccc(cc1)O CUR-0014170 [2,0,0,0,0,0|0,0,0]=2 272 B7R1.3 c1ccc(cc1)S CUR-0028213 [2,0,0,0,0,0|0,1,0]=3 273 B7R1.3 c1ccnc(c1)Br CUR-0027498 [2,0,0,0,0,0|2,0,0]=4 274 B7R1.3 c1ccnc(c1)Cl CUR-0025795 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.3 c1ccnc(c1)F CUR-0001564 [2,0,0,0,0,0|2,0,0]=4 276 B7R1.3 c1ccnc(c1)N CUR-0014738 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.3 c1ccnc(c1)S CUR-0101115 [2,0,0,0,0,0|1,1,0]=4 278 B7R1.3 c1cnccc1Br CUR-0024741 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.3 c1cnccc1Cl CUR-0000753 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.3 c1cnccc1Cl CUR-0101201 [2,0,0,0,0,0|2,0,0]=4 281 B7R1.3 c1cnccc1N CUR-0006858 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.2 COc1cccc(c1)N CUR-0007825 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.2 COc1cccc(c1)O CUR-0013270 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.2 CSc1cccc(c1)N CUR-0102130 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.2 Cc1cccc(c1)C#N CUR-0101768 [1,1,0,0,0,0|1,0,1]=4 286 B9R1.2 Cc1cccc(c1)C=O CUR-0023642 [1,1,0,0,0,0|0,0,2]=4 287 B9R1.2 Cc1cccc(c1)CCl CUR-0102150 [1,1,0,0,0,0|1,0,0]=3 288 B9R1.2 Cc1cccc(c1)NN CUR-0102590 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.2 c1cc(cc(c1)Br)C=O CUR-0001107 [1,1,0,0,0,0|0,0,2]=4 290 B9R1.2 c1cc(cc(c1)Br)CBr CUR-0103920 [1,1,0,0,0,0|1,0,0]=3 291 B9R1.2 c1cc(cc(c1)Br)CN CUR-0101379 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.2 c1cc(cc(c1)Br)NN CUR-0108824 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.2 c1cc(cc(c1)Cl)C#N CUR-0100956 [1,1,0,0,0,0|1,0,1]=4 294 B9R1.2 c1cc(cc(c1)Cl)C=O CUR-0022345 [1,1,0,0,0,0|0,0,2]=4 295 B9R1.2 c1cc(cc(c1)Cl)CBr CUR-0103527 [1,1,0,0,0,0|1,0,0]=3 296 B9R1.2 c1cc(cc(c1)Cl)CCl CUR-0102628 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.2 c1cc(cc(c1)Cl)NN CUR-0101095 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.2 c1cc(cc(c1)F)C#N CUR-0101808 [1,1,0,0,0,0|1,0,1]=4 299 B9R1.2 c1cc(cc(c1)F)C=O CUR-0022907 [1,1,0,0,0,0|0,0,2]=4 300 B9R1.2 c1cc(cc(c1)F)CBr CUR-0100972 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.2 c1cc(cc(c1)F)CCl CUR-0009113 [1,1,0,0,0,0|1,0,0]=3 302 B9R1.2 c1cc(cc(c1)N)C#N CUR-0101777 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.2 c1cc(cc(c1)N)CO CUR-0101851 [1,1,0,0,0,0|0,0,0]=2 304 B9R1.2 c1cc(cc(c1)O)C#N CUR-0100957 [1,1,0,0,0,0|1,0,1]=4 305 B9R1.2 c1cc(cc(c1)O)C=O CUR-0101822 [1,1,0,0,0,0|0,0,2]=4 306 B9R1.2 c1cc(cc(c1)O)CO CUR-0101863 [1,1,0,0,0,0|0,0,0]=2 307 B9R1.2 c1cc(nc(c1)N)CN CUR-0153389 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.6 B(c1ccccc1)(O)O CUR-0027324 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.6 B(c1cccnc1)(O)O CUR-0101844 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.6 B(c1ccncc1)(O)O CUR-0101845 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.6 CC(=C)c1ccccc1 CUR-0101783 [1,1,0,0,0,0|1,0,1]=4 312 B9R1.6 CC(=O)c1ccccc1 CUR-0002350 [1,1,0,0,0,0|0,0,2]=4 313 B9R1.6 CC(c1ccccc1)Br CUR-0009957 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.6 CC(c1ccccc1)N CUR-0006791 [1,1,0,0,0,0|1,0,0]=3 315 B9R1.6 CC(c1ccccn1)N CUR-0097687 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.6 CC(c1cccnc1)Cl CUR-0095151 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.6 CC(c1ccncc1)Cl CUR-0026970 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.6 CN(C)c1ccccc1 CUR-0003058 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.6 C[C@@H](c1ccccc1)N CUR-0100794 [1,1,0,0,0,0|1,0,0]=3 320 B9R1.6 C[C@H](c1ccccc1)N CUR-0019064 [1,1,0,0,0,0|1,0,0]=3 321 B9R1.6 c1cc(cnc1)C(=O)O CUR-0021553 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.6 c1ccc(cc1)C(=N)N CUR-0101311 [1,1,0,0,0,0|1,0,1]=4 323 B9R1.6 c1ccc(cc1)C(=N)N CUR-0101314 [1,1,0,0,0,0|1,0,1]=4 324 B9R1.6 c1ccc(cc1)C(=O)Cl CUR-0014056 [1,1,0,0,0,0|0,0,2]=4 325 B9R1.6 c1ccc(cc1)C(=O)N CUR-0000442 [1,1,0,0,0,0|0,0,2]=4 326 B9R1.6 c1ccc(cc1)C(=O)O CUR-0005654 [1,1,0,0,0,0|0,0,1]=3 327 B9R1.6 c1ccc(cc1)C(=S)N CUR-0011425 [1,1,0,0,0,0|0,1,1]=4 328 B9R1.6 c1ccc(cc1)P(Cl)Cl CUR-0009257 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.6 c1ccc(cc1)S(=O)[O-] CUR-0102710 [1,1,0,0,0,0|1,0,1]=4 330 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CUR-0003713 [1,1,0,0,0,0|1,0,1]=4 331 B9R1.6 c1ccnc(c1)C(=O)O CUR-0005772 [1,1,0,0,0,0|1,0,1]=4 332 B9R1.6 c1ccnc(c1)C(=O)O CUR-0102605 [1,1,0,0,0,0|1,0,1]=4 333 B9R1.6 c1cnccc1C(=O)O CUR-0000044 [1,1,0,0,0,0|1,0,1]=4 334 B9R1.8 CCNc1ccccc1 CUR-0000606 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.8 CCOc1ccccc1 CUR-0022022 [1,1,0,0,0,0|1,0,0]=3 336 B9R1.8 CCSc1ccccc1 CUR-0102116 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.8 CNCc1ccccc1 CUR-0014590 [1,1,0,0,0,0|1,0,0]=3 338 B9R1.8 CNCc1cccnc1 CUR-0029160 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.8 CNCc1ccncc1 CUR-0029135 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.8 c1ccc(cc1)CC#N CUR-0026888 [1,1,0,0,0,0|1,0,0]=3 341 B9R1.8 c1ccc(cc1)CC=O CUR-0101800 [1,1,0,0,0,0|0,0,1]=3 342 B9R1.8 c1ccc(cc1)CCBr CUR-0103169 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.8 c1ccc(cc1)CCCl CUR-0006599 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.8 c1ccc(cc1)CCN CUR-0101814 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.8 c1ccc(cc1)CCO CUR-0012636 [1,1,0,0,0,0|0,0,0]=2 346 B9R1.8 c1ccc(cc1)CNN CUR-0008775 [1,1,0,0,0,0|1,0,0]=3 347 B9R1.8 c1ccc(cc1)CON CUR-0102606 [1,1,0,0,0,0|0,0,0]=2 348 B9R1.8 c1ccc(cc1)N=C=O CUR-0101790 [1,1,0,0,0,0|0,0,2]=4 349 B9R1.8 c1ccc(cc1)N=C=S CUR-0009905 [1,1,0,0,0,0|0,1,1]=4 350 B9R1.8 c1ccnc(c1)CC#N CUR-0100818 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.8 c1ccnc(c1)CNN CUR-0004430 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.8 c1ccnc(c1)\C=N\O CUR-0101824 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.8 c1cnccc1CCN CUR-0097215 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.8 c1cnccc1CNN CUR-0019570 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.15 CCc1ccccc1N CUR-0101239 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.15 COc1ccccc1Br CUR-0103202 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.15 COc1ccccc1F CUR-0101889 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.15 COc1ccccc1I CUR-0103823 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.15 COc1ccccc1N CUR-0026684 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.15 COc1ccccc1N CUR-0101258 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.15 COc1ccccc1O CUR-0101859 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.15 CSc1ccccc1N CUR-0102129 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.15 Cc1ccccc1C#N CUR-0101770 [1,1,0,0,0,0|1,0,1]=4 364 B9R1.15 Cc1ccccc1C=O CUR-0101798 [1,1,0,0,0,0|0,0,2]=4 365 B9R1.15 Cc1ccccc1CCl CUR-0000197 [1,1,0,0,0,0|1,0,0]=3 366 B9R1.15 Cc1ccccc1NN CUR-0011970 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.15 Cc1ccccc1OC CUR-0101827 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.15 c1cc(c(nc1)CN)F CUR-0085564 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.15 c1ccc(c(c1)C#N)Cl CUR-0102104 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.15 c1ccc(c(c1)C#N)F CUR-0101409 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.15 c1ccc(c(c1)C#N)N CUR-0101778 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.15 c1ccc(c(c1)C#N)O CUR-0101789 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.15 c1ccc(c(c1)C=O)Br CUR-0103166 [1,1,0,0,0,0|0,0,2]=4 374 B9R1.15 c1ccc(c(c1)C=O)Cl CUR-0001218 [1,1,0,0,0,0|0,0,2]=4 375 B9R1.15 c1ccc(c(c1)C=O)F CUR-0009497 [1,1,0,0,0,0|0,0,2]=4 376 B9R1.15 c1ccc(c(c1)C=O)O CUR-0022364 [1,1,0,0,0,0|0,0,2]=4 377 B9R1.15 c1ccc(c(c1)CBr)Br CUR-0103922 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.15 c1ccc(c(c1)CBr)F CUR-0103234 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.15 c1ccc(c(c1)CCl)Cl CUR-0100771 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.15 c1ccc(c(c1)CN)Cl CUR-0102172 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.15 c1ccc(c(c1)CN)F CUR-0101874 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.15 c1ccc(c(c1)CN)N CUR-0101838 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.15 c1ccc(c(c1)CO)N CUR-0101848 [1,1,0,0,0,0|0,0,0]=2 384 B9R1.15 c1ccc(c(c1)CO)O CUR-0101860 [1,1,0,0,0,0|0,0,0]=2 385 B9R1.15 c1ccc(c(c1)NN)F CUR-0101248 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.69 Cc1cc(ccc1Br)N CUR-0103185 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.69 Cc1cc(ccc1Cl)N CUR-0071512 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.69 Cc1cc(ccc1Cl)O CUR-0102207 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.69 Cc1cc(ccc1N)Br CUR-0103186 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.69 Cc1cc(ccc1N)Cl CUR-0102171 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.69 Cc1cc(ccc1N)O CUR-0101849 [1,1,0,0,0,0|1,0,0]=3 392 B9R1.69 Cc1cc(ncc1N)C CUR-0096824 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.69 Cc1ccc(c(c1)Br)C CUR-0101384 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.69 Cc1ccc(c(c1)Br)N CUR-0103187 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.69 Cc1ccc(c(c1)C)C CUR-0020786 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.69 Cc1ccc(c(c1)C)N CUR-0000100 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.69 Cc1ccc(c(c1)C)N CUR-0101206 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.69 Cc1ccc(c(c1)C)O CUR-0101833 [1,1,0,0,0,0|0,0,0]=2 399 B9R1.69 Cc1ccc(c(c1)Cl)C CUR-0102148 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.69 Cc1ccc(c(c1)Cl)N CUR-0102173 [1,1,0,0,0,0|1,0,0]=3 401 B9R1.69 Cc1ccc(c(c1)N)C CUR-0101811 [1,1,0,0,0,0|1,0,0]=3 402 B9R1.69 Cc1ccc(c(c1)N)N CUR-0101837 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.69 Cc1ccc(c(c1)N)O CUR-0101847 [1,1,0,0,0,0|0,0,0]=2 404 B9R1.69 Cc1ccc(c(c1)O)C CUR-0003278 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.69 Cc1ccc(c(c1)O)Cl CUR-0102206 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.69 Cc1ccc(c(c1)O)O CUR-0101112 [1,1,0,0,0,0|0,0,0]=2 407 B9R1.69 Cc1ccc(cc1C)N CUR-0003521 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.69 Cc1ccc(cc1C)O CUR-0101826 [1,1,0,0,0,0|0,0,0]=2 409 B9R1.69 Cc1ccc(cc1Cl)N CUR-0102170 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.69 Cc1ccc(cc1F)N CUR-0101875 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.69 Cc1ccc(cc1N)Cl CUR-0102169 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.69 Cc1ccc(cc1N)F CUR-0101877 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.69 Cc1ccc(cc1N)N CUR-0024388 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.69 Cc1ccc(nc1Br)Br CUR-0100587 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.69 c1cc(c(cc1Br)Cl)N CUR-0006158 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.69 c1cc(c(cc1Br)Cl)O CUR-0103559 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.69 c1cc(c(cc1Br)F)N CUR-0103256 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.69 c1cc(c(cc1Cl)Cl)Cl CUR-0103105 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.69 c1cc(c(cc1Cl)Cl)N CUR-0102643 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.69 c1cc(c(cc1Cl)Cl)O CUR-0102676 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.69 c1cc(c(cc1Cl)F)N CUR-0013011 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.69 c1cc(c(cc1Cl)N)Cl CUR-0026570 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.69 c1cc(c(cc1Cl)N)N CUR-0007770 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.69 c1cc(c(cc1Cl)N)O CUR-0102223 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.69 c1cc(c(cc1Cl)N)S CUR-0011544 [1,1,0,0,0,0|1,1,0]=4 426 B9R1.69 c1cc(c(cc1Cl)O)Cl CUR-0102673 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.69 c1cc(c(cc1F)Cl)N CUR-0102267 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.69 c1cc(c(cc1F)F)N CUR-0020803 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.69 c1cc(c(cc1F)F)O CUR-0101959 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.69 c1cc(c(cc1F)N)F CUR-0101943 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.69 c1cc(c(cc1I)I)N CUR-0025334 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.69 c1cc(c(cc1N)Cl)Cl CUR-0102640 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.69 c1cc(c(cc1N)Cl)F CUR-0102265 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.69 c1cc(c(cc1N)F)Cl CUR-0102264 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.69 c1cc(c(cc1N)F)F CUR-0101941 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.69 c1cc(c(cc1N)N)O CUR-0012615 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.21 c1cc(oc1CN)CO CUR-0013378 [0,1,0,0,1,0|2,0,0]=4 438 B9R1.21 c1cc(oc1CO)C=O CUR-0101881 [0,1,0,0,1,0|1,0,1]=4 439 B9R1.35 c1c(csc1C(=O)O)O CUR-0019310 [0,1,0,0,1,0|1,0,1]=4 440 B11R1.1 C#CCOc1ccc(cc1)N CUR-0098934 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.1 CCCCc1ccc(cc1)N CUR-0102339 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.1 CCCNc1ccc(cc1)Br CUR-0155140 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.1 CCCOc1ccc(cc1)Br CUR-0103649 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.1 CCCOc1ccc(cc1)O CUR-0102438 [0,2,0,0,0,0|1,0,0]=3 445 B11R1.1 CO\C=N\c1ccc(cc1)Cl CUR-0098560 [0,2,0,0,0,0|1,0,1]=4 446 B11R1.1 CO\C=N\c1ccc(cc1)F CUR-0098559 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.1 c1cc(ccc1CN=C=O)Cl CUR-0043225 [0,2,0,0,0,0|1,0,1]=4 448 B11R1.1 c1cc(ccc1CN=C=O)F CUR-0098954 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.1 c1cc(ccc1OCCN)F CUR-0096958 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.1 c1cc(ccc1OCCN)F CUR-0097123 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.20 CC(=O)Nc1ccc(cc1)O CUR-0102405 [0,2,0,0,0,0|0,0,2]=4 452 B11R1.20 Cc1ccc(cc1)CC(=O)O CUR-0102360 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.20 c1cc(ccc1CC(=N)N)Br CUR-0100937 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.20 c1cc(ccc1CC(=N)N)F CUR-0101003 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl CUR-0103238 [0,2,0,0,0,0|1,0,1]=4 456 B11R1.20 c1cc(ccc1CC(=O)O)Br CUR-0103647 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.20 c1cc(ccc1CC(=O)O)Cl CUR-0102870 [0,2,0,0,0,0|1,0,0]=3 458 B11R1.20 c1cc(ccc1CC(=O)O)F CUR-0102483 [0,2,0,0,0,0|1,0,0]=3 459 B11R1.20 c1cc(ccc1N)OC(F)F CUR-0027948 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.22 CC(c1ccc(cc1)Br)NN CUR-0021938 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.22 CC(c1ccc(cc1)Cl)NN CUR-0012401 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.22 CCC(=O)c1ccc(cc1)C CUR-0102313 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.22 CCC(=O)c1ccc(cc1)Cl CUR-0102828 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.22 CCC(=O)c1ccc(cc1)O CUR-0102358 [0,2,0,0,0,0|1,0,0]=3 465 B11R1.22 COC(=O)c1ccc(cc1)Cl CUR-0012989 [0,2,0,0,0,0|1,0,1]=4 466 B11R1.22 COC(=O)c1ccc(cc1)N CUR-0024682 [0,2,0,0,0,0|1,0,1]=4 467 B11R1.22 COC(=O)c1ccc(cc1)O CUR-0102420 [0,2,0,0,0,0|0,0,1]=3 468 B11R1.22 Cc1ccc(cc1)C(=O)OC CUR-0027548 [0,2,0,0,0,0|1,0,1]=4 469 B11R1.22 Cc1ccc(cc1)C(C#C)O CUR-0048969 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.22 c1cc(ccc1C(=O)CBr)Br CUR-0002665 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CUR-0020469 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.22 c1cc(ccc1C(=O)CBr)F CUR-0002238 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.22 c1cc(ccc1C(=O)CN)Cl CUR-0021793 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.22 c1cc(ccc1\C(=N\O)\N)Cl CUR-0107657 [0,2,0,0,0,0|1,0,1]=4 475 B11R1.81 CCOc1ccc(cc1N)F CUR-0097691 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.83 CCOc1ccc(cc1)C=O CUR-0102371 [0,2,0,0,0,0|0,0,2]=4 477 B11R1.83 CCOc1ccc(cn1)CN CUR-0065820 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.83 CCc1ccc(cc1)CCBr CUR-0006765 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.83 CNCc1ccc(nc1)OC CUR-0153397 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.83 COc1ccc(cc1)CC#N CUR-0102300 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.83 COc1ccc(cc1)CC=O CUR-0048309 [0,2,0,0,0,0|0,0,1]=3 482 B11R1.83 COc1ccc(cc1)CCCl CUR-0102873 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.83 COc1ccc(cc1)CCN CUR-0102406 [0,2,0,0,0,0|1,0,0]=3 484 B11R1.83 COc1ccc(cc1)CCN CUR-0103214 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.83 COc1ccc(cc1)CNN CUR-0098475 [0,2,0,0,0,0|1,0,0]=3 486 B11R1.83 COc1ccc(cc1)N=C=O CUR-0102325 [0,2,0,0,0,0|0,0,2]=4 487 B11R1.83 COc1ccc(cc1)N=C=S CUR-0102753 [0,2,0,0,0,0|0,1,1]=4 488 B11R1.192 c1cc(c(cc1CNN)Cl)Cl CUR-0100697 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.3 B(c1ccc(cc1)C=O)(O)O CUR-0102344 [0,2,0,0,0,0|0,0,2]=4 490 B11R1.3 B(c1ccc(cc1)OC)(O)O CUR-0006693 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.3 CC(=O)c1ccc(cc1)CN CUR-0099499 [0,2,0,0,0,0|1,0,1]=4 492 B11R1.3 CC(=O)c1ccc(cc1)OC CUR-0002196 [0,2,0,0,0,0|0,0,2]=4 493 B11R1.3 CC(C)c1ccc(cc1)C#C CUR-0076021 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.3 CC(C)c1ccc(cc1)C=O CUR-0102317 [0,2,0,0,0,0|1,0,1]=4 495 B11R1.3 CCc1ccc(cc1)C(=O)C CUR-0102311 [0,2,0,0,0,0|1,0,1]=4 496 B11R1.3 CN(C)c1ccc(cn1)CO CUR-0035032 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.3 COc1ccc(cc1)C(=O)O CUR-0006365 [0,2,0,0,0,0|0,0,1]=3 498 B11R1.3 COc1ccc(cc1)C(=S)N CUR-0105503 [0,2,0,0,0,0|0,1,1]=4 499 B11R1.3 COc1ccc(cn1)C(=O)O CUR-0102458 [0,2,0,0,0,0|1,0,1]=4 500 B11R1.3 COc1ccc(nc1)C(=O)O CUR-0015881 [0,2,0,0,0,0|1,0,1]=4 501 B11R1.3 CSc1ccc(cc1)C(=O)O CUR-0102825 [0,2,0,0,0,0|0,1,1]=4 502 B11R1.3 c1cc(ccc1C#N)C(=O)O CUR-0100759 [0,2,0,0,0,0|1,0,1]=4 503 B11R1.3 c1cc(ccc1C(=O)O)NN CUR-0087478 [0,2,0,0,0,0|1,0,1]=4 504 B11R1.3 c1cc(ccc1C=O)C(=O)O CUR-0102349 [0,2,0,0,0,0|0,0,2]=4 505 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] CUR-0025401 [0,2,0,0,0,0|1,0,1]=4 506 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] CUR-0003298 [0,2,0,0,0,0|1,0,1]=4 507 B11R1.3 c1cc(ccc1CN)C(=O)O CUR-0000478 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.279 COc1ccc(cc1O)C=O CUR-0005023 [0,2,0,0,0,0|0,0,2]=4 509 B11R1.279 COc1coc(cc1=O)CCl CUR-0098760 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.279 c1cc(c(cc1C#N)F)CBr CUR-0103630 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.279 c1cc(c(cc1CN)F)C#N CUR-0098651 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.19 CC(C)(C)c1ccc(cc1)N CUR-0100148 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.19 CC(C)(C)c1ccc(cc1)O CUR-0102376 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O CUR-0102894 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O CUR-0120460 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.19 c1cc(ccc1C(F)(F)F)Br CUR-0022789 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.19 c1cc(ccc1C(F)(F)F)F CUR-0026113 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.19 c1cc(ccc1C(F)(F)F)N CUR-0100809 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.19 c1cc(ccc1N)S(=O)(=O)O CUR-0015685 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl CUR-0103315 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.21 Cc1cc(cnc1O)C(=O)O CUR-0122261 [0,2,0,0,0,0|1,0,1]=4 522 B11R1.21 Cc1ccc(cc1C)C(=O)O CUR-0101094 [0,2,0,0,0,0|1,0,1]=4 523 B11R1.21 Cc1ccc(cc1F)C(=O)O CUR-0102484 [0,2,0,0,0,0|1,0,1]=4 524 B11R1.21 Cc1ccc(cc1N)C(=O)O CUR-0102399 [0,2,0,0,0,0|1,0,1]=4 525 B11R1.21 Cc1ccc(cc1O)C(C)C CUR-0012406 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O CUR-0102935 [0,2,0,0,0,0|1,0,1]=4 527 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CUR-0013670 [0,2,0,0,0,0|1,0,1]=4 528 B11R1.21 c1cc(c(cc1C(=O)O)F)F CUR-0014526 [0,2,0,0,0,0|1,0,1]=4 529 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl CUR-0102886 [0,2,0,0,0,0|1,0,1]=4 530 B11R1.21 c1cc(c(cc1C(=O)O)N)N CUR-0102431 [0,2,0,0,0,0|1,0,1]=4 531 B11R1.21 c1cc(c(cc1C(=O)O)N)N CUR-0103230 [0,2,0,0,0,0|1,0,1]=4 532 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O CUR-0028369 [0,2,0,0,0,0|1,0,1]=4 533 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O CUR-0102516 [0,2,0,0,0,0|1,0,1]=4 534 B11R1.166 CC(=O)c1ccc(cc1O)O CUR-0102423 [0,2,0,0,0,0|0,0,2]=4 535 B11R1.166 Cc1cc(ccc1C(C)C)O CUR-0102380 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O CUR-0003026 [0,2,0,0,0,0|1,0,1]=4 537 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CUR-0102364 [0,2,0,0,0,0|1,0,1]=4 538 B11R1.166 Cc1ccc(c(c1)O)C(C)C CUR-0002437 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.166 c1cc(c(cc1Br)N)C(=O)O CUR-0099981 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CUR-0103278 [0,2,0,0,0,0|1,0,1]=4 541 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O CUR-0102881 [0,2,0,0,0,0|1,0,1]=4 542 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O CUR-0102961 [0,2,0,0,0,0|1,0,1]=4 543 B11R1.166 c1cc(c(cc1F)F)C(=O)O CUR-0100963 [0,2,0,0,0,0|1,0,1]=4 544 B11R1.166 c1cc(c(cc1N)O)C(=O)O CUR-0021932 [0,2,0,0,0,0|1,0,1]=4 545 B11R1.166 c1cc(c(cc1O)O)C(=O)O CUR-0102479 [0,2,0,0,0,0|0,0,1]=3 546 B11R1.166 c1cc(nc(c1C(=O)O)N)O CUR-0155202 [0,2,0,0,0,0|1,0,1]=4 547 B11R1.464 Cc1cc(c(c(c1)C)CN)C CUR-0097159 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.280 COc1cc(ccc1O)C#N CUR-0102326 [0,2,0,0,0,0|1,0,1]=4 549 B11R1.280 COc1cc(ccc1O)C=O CUR-0004967 [0,2,0,0,0,0|0,0,2]=4 550 B11R1.280 COc1cc(ccc1O)CO CUR-0102490 [0,2,0,0,0,0|0,0,0]=2 551 B11R1.280 COc1ccc(c(c1)C=O)O CUR-0102424 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.280 c1cc(c(cc1CBr)C#N)F CUR-0014655 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.3 Cc1c(cccc1O)O CUR-0101864 [0,0,1,1,0,0|0,0,2]=4 554 B9R1.3 c1cc(c(c(c1)O)O)O CUR-0011139 [0,0,1,1,0,0|1,0,1]=4 555 B11R2.36 c1cc2c(cc1N)OCO2 CUR-0017126 [0,1,0,1,0,0|1,0,0]=3 556 B11R2.36 c1cc2c(cc1O)OCO2 CUR-0025975 [0,1,0,1,0,0|0,0,0]=2 557 B7R1.1 CCc1cccs1 CUR-0101705 [1,0,0,0,1,0|2,0,0]=4 558 B7R1.1 c1cc(oc1)CN CUR-0006239 [1,0,0,0,1,0|2,0,0]=4 559 B7R1.1 c1cc(oc1)CO CUR-0018391 [1,0,0,0,1,0|1,0,0]=3 560 B7R1.1 c1cc(oc1)CS CUR-0101724 [1,0,0,0,1,0|1,1,0]=4 561 B7R1.1 c1cc(sc1)CN CUR-0000390 [1,0,0,0,1,0|2,0,0]=4 562 B7R1.1 c1cc(sc1)CO CUR-0023830 [1,0,0,0,1,0|1,0,0]=3 563 B7R1.1 c1cscc1CO CUR-0029172 [1,0,0,0,1,0|1,0,0]=3 564 B7R1.2 Cc1ccc(o1)C CUR-0101561 [1,0,0,0,1,0|2,0,0]=4 565 B7R1.2 Cc1ccc(s1)C CUR-0012643 [1,0,0,0,1,0|2,0,0]=4 566 B7R1.2 Cn1cc(cn1)O CUR-0006197 [1,0,0,0,1,0|2,0,0]=4