0 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 Cc1ccccn1 CUR-0005465 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 Cc1cccnc1 CUR-0100815 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 Cc1ccncc1 CUR-0027079 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 Cc1cnccn1 CUR-0100916 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.3 c1c(cncn1)Br CUR-0004760 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.3 c1c(cncn1)I CUR-0026023 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.3 c1c(cnnn1)Br CUR-0100868 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 c1cc(=O)[nH]nc1 CUR-0115206 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.3 c1cc(cnc1)Br CUR-0009235 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 c1cc(cnc1)F CUR-0101564 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 c1cc(cnc1)N CUR-0019682 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 c1cc(cnc1)O CUR-0101555 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 c1cc(nnc1)S CUR-0097040 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.3 c1cc[n+](cc1)[O-] CUR-0003254 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 c1cc[nH]c(=O)c1 CUR-0101554 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 c1ccc(cc1)Br CUR-0101195 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 c1ccc(cc1)Cl CUR-0027821 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 c1ccc(cc1)F CUR-0101403 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 c1ccc(cc1)I CUR-0025654 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 c1ccc(cc1)N CUR-0004820 [0,0,0,0,0,0|1,0,0]=1 21 B7R1.3 c1ccc(cc1)N CUR-0101212 [0,0,0,0,0,0|1,0,0]=1 22 B7R1.3 c1ccc(cc1)O CUR-0014170 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 c1ccc(cc1)S CUR-0028213 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.3 c1ccnc(c1)Br CUR-0027498 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.3 c1ccnc(c1)Cl CUR-0025795 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 c1ccnc(c1)F CUR-0001564 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 c1ccnc(c1)N CUR-0014738 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.3 c1ccnc(c1)S CUR-0101115 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.3 c1cnc(cn1)Cl CUR-0011494 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.3 c1cnc(cn1)N CUR-0026531 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.3 c1cnc(nc1)N CUR-0016913 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.3 c1cnc(nc1)S CUR-0101701 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.3 c1cnccc1Br CUR-0024741 [0,0,0,0,0,0|1,0,0]=1 34 B7R1.3 c1cnccc1Cl CUR-0000753 [0,0,0,0,0,0|1,0,0]=1 35 B7R1.3 c1cnccc1Cl CUR-0101201 [0,0,0,0,0,0|1,0,0]=1 36 B7R1.3 c1cnccc1N CUR-0006858 [0,0,0,0,0,0|0,0,0]=0 37 B7R1.3 c1cnnc(n1)N CUR-0015994 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.1 c1ccncc1 CUR-0022962 [1,0,0,0,0,0|0,0,0]=1 39 B6R1.1 c1ccncc1 CUR-0027966 [1,0,0,0,0,0|0,0,0]=1 40 B6R1.1 c1ccncc1 CUR-0101574 [1,0,0,0,0,0|0,0,0]=1 41 B6R1.1 c1cnccn1 CUR-0101472 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.2 C#Cc1ccccc1 CUR-0028923 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.2 C=Cc1ccccc1 CUR-0016228 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.2 C=Cc1ccccn1 CUR-0101649 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.2 C=Cc1ccncc1 CUR-0007620 [0,1,0,0,0,0|1,0,0]=2 46 B8R1.2 CCc1ccccc1 CUR-0101653 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.2 CNc1ccccc1 CUR-0101656 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.2 COc1ccccc1 CUR-0026843 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 COc1ccncc1 CUR-0101402 [0,1,0,0,0,0|1,0,0]=2 50 B8R1.2 CSc1ccccc1 CUR-0101870 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.2 c1cc(cnc1)C#N CUR-0019652 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.2 c1cc(cnc1)C=O CUR-0007220 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.2 c1cc(cnc1)CCl CUR-0002750 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.2 c1cc(cnc1)CN CUR-0027066 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.2 c1cc(cnc1)CO CUR-0101674 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.2 c1ccc(cc1)C#N CUR-0014272 [0,1,0,0,0,0|1,0,1]=3 57 B8R1.2 c1ccc(cc1)C=O CUR-0027632 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.2 c1ccc(cc1)CBr CUR-0024935 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.2 c1ccc(cc1)CCl CUR-0014141 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.2 c1ccc(cc1)CN CUR-0009810 [0,1,0,0,0,0|1,0,0]=2 61 B8R1.2 c1ccc(cc1)CN CUR-0101294 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.2 c1ccc(cc1)CO CUR-0002024 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 c1ccc(cc1)CS CUR-0005953 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.2 c1ccc(cc1)NN CUR-0008900 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.2 c1ccc(cc1)NN CUR-0101278 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.2 c1ccnc(c1)C#N CUR-0017142 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.2 c1ccnc(c1)C=O CUR-0011586 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.2 c1ccnc(c1)CCl CUR-0006464 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.2 c1ccnc(c1)CN CUR-0101659 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.2 c1ccnc(c1)CO CUR-0101669 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.2 c1ccnc(c1)NN CUR-0101675 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 c1cnccc1C#N CUR-0026031 [0,1,0,0,0,0|0,0,1]=2 73 B8R1.2 c1cnccc1C=O CUR-0023499 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.2 c1cnccc1CCl CUR-0005638 [0,1,0,0,0,0|1,0,0]=2 75 B8R1.2 c1cnccc1CN CUR-0101658 [0,1,0,0,0,0|0,0,0]=1 76 B8R1.2 c1cnccc1CO CUR-0101670 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.2 c1cnccc1NN CUR-0097304 [0,1,0,0,0,0|0,0,0]=1 78 B8R1.3 C1=CC(=O)C=CC1=O CUR-0018403 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.3 Cc1cc[n+](cc1)[O-] CUR-0021329 [0,1,0,0,0,0|1,0,1]=3 80 B8R1.3 Cc1ccc(cc1)Br CUR-0014363 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.3 Cc1ccc(cc1)C CUR-0100820 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.3 Cc1ccc(cc1)Cl CUR-0101900 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.3 Cc1ccc(cc1)F CUR-0101681 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.3 Cc1ccc(cc1)N CUR-0021477 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.3 Cc1ccc(cc1)N CUR-0101286 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.3 Cc1ccc(cc1)O CUR-0101071 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.3 Cc1ccc(cc1)S CUR-0015249 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.3 Cc1ccc(cn1)O CUR-0101672 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.3 Cc1ccc(nc1)Cl CUR-0101909 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.3 Cc1ccc(nc1)N CUR-0101661 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.3 c1c(cnc(n1)N)I CUR-0009198 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.3 c1cc(ccc1Cl)Br CUR-0103299 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.3 c1cc(ccc1Cl)Cl CUR-0025513 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.3 c1cc(ccc1Cl)I CUR-0103857 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.3 c1cc(ccc1F)F CUR-0101716 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.3 c1cc(ccc1F)I CUR-0100862 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.3 c1cc(ccc1F)S CUR-0101922 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.3 c1cc(ccc1N)Br CUR-0001862 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.3 c1cc(ccc1N)Cl CUR-0009983 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.3 c1cc(ccc1N)F CUR-0025311 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.3 c1cc(ccc1N)F CUR-0101313 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.3 c1cc(ccc1N)I CUR-0103680 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.3 c1cc(ccc1N)N CUR-0007726 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.3 c1cc(ccc1N)N CUR-0101209 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.3 c1cc(ccc1N)O CUR-0005141 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.3 c1cc(ccc1N)S CUR-0101879 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.3 c1cc(ccc1O)Br CUR-0026065 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.3 c1cc(ccc1O)Cl CUR-0002073 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.3 c1cc(ccc1O)F CUR-0015998 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.3 c1cc(ccc1O)I CUR-0103689 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.3 c1cc(ccc1O)O CUR-0028052 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.3 c1cc(ccc1O)S CUR-0101891 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.3 c1cc(ccc1S)Br CUR-0017458 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.3 c1cc(ccc1S)Cl CUR-0102245 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.3 c1cc(ncc1Br)Br CUR-0103845 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.3 c1cc(ncc1Br)Cl CUR-0103313 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.3 c1cc(ncc1Cl)Cl CUR-0102306 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.3 c1cc(ncc1Cl)N CUR-0013159 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.3 c1cc(ncc1F)Cl CUR-0101984 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.3 c1cc(ncc1I)Cl CUR-0103864 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.3 c1cc(ncc1N)Cl CUR-0101934 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.4 Cc1cc(cnc1)C CUR-0008137 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.4 Cc1cc(ncn1)Cl CUR-0097242 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.4 Cc1cc(ncn1)O CUR-0099849 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.4 Cc1cc(ncn1)S CUR-0099850 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.4 Cc1cc[nH]c(=O)c1 CUR-0008898 [0,1,0,0,0,0|1,0,1]=3 127 B8R1.4 Cc1cccc(c1)Br CUR-0102875 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.4 Cc1cccc(c1)C CUR-0101652 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.4 Cc1cccc(c1)F CUR-0014428 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.4 Cc1cccc(c1)N CUR-0014144 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.4 Cc1cccc(c1)O CUR-0101657 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.4 Cc1cccc(n1)Br CUR-0003302 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.4 Cc1cccc(n1)C CUR-0022045 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.4 Cc1cccc(n1)Cl CUR-0018003 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.4 Cc1cccc(n1)N CUR-0101660 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.4 Cc1ccnc(c1)Cl CUR-0101908 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.4 Cc1ccnc(c1)N CUR-0014373 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.4 Cc1ccnc(n1)C CUR-0100900 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.4 Cc1ccnc(n1)N CUR-0099978 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.4 Cc1nccc(n1)O CUR-0009692 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.4 c1c(cncc1Br)Br CUR-0103844 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.4 c1c(ncnc1Cl)Cl CUR-0005730 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.4 c1c(ncnc1O)O CUR-0002163 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.4 c1c[nH]c(=O)[nH]c1=O CUR-0101697 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.4 c1cc(cc(c1)Br)N CUR-0022156 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.4 c1cc(cc(c1)Br)O CUR-0102910 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.4 c1cc(cc(c1)Cl)Cl CUR-0102294 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.4 c1cc(cc(c1)Cl)F CUR-0009433 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.4 c1cc(cc(c1)Cl)N CUR-0026020 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.4 c1cc(cc(c1)Cl)O CUR-0101935 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 c1cc(cc(c1)F)F CUR-0101717 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.4 c1cc(cc(c1)F)N CUR-0028229 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.4 c1cc(cc(c1)F)O CUR-0101699 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.4 c1cc(cc(c1)N)N CUR-0027756 [0,1,0,0,0,0|1,0,0]=2 155 B8R1.4 c1cc(cc(c1)O)N CUR-0011750 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.4 c1cc(cc(c1)O)O CUR-0006751 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.4 c1cc(nc(c1)Br)Br CUR-0024763 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.4 c1cc(nc(c1)Cl)Cl CUR-0004790 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.4 c1cc(nc(c1)N)N CUR-0020790 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.4 c1cnc(cc1Cl)N CUR-0096742 [0,1,0,0,0,0|1,0,0]=2 161 B8R1.4 c1cnc(cc1I)Br CUR-0096196 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.4 c1cnc(cc1N)Cl CUR-0101413 [0,1,0,0,0,0|0,0,0]=1 163 B8R1.4 c1cnc(cc1N)N CUR-0021715 [0,1,0,0,0,0|0,0,0]=1 164 B8R1.4 c1cnc(cc1O)N CUR-0064821 [0,1,0,0,0,0|1,0,0]=2 165 B8R1.4 c1cnc(nc1Cl)Cl CUR-0010963 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.4 c1cnc(nc1O)S CUR-0002098 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.5 Cc1c(cccn1)Br CUR-0015052 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.5 Cc1c(cccn1)O CUR-0101673 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.5 Cc1cccc[n+]1C CUR-0000858 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.5 Cc1cccc[n+]1[O-] CUR-0101667 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.5 Cc1ccccc1C CUR-0015131 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.5 Cc1ccccc1Cl CUR-0010314 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.5 Cc1ccccc1F CUR-0101680 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.5 Cc1ccccc1N CUR-0016164 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.5 Cc1ccccc1N CUR-0101242 [0,1,0,0,0,0|1,0,0]=2 176 B8R1.5 Cc1ccccc1O CUR-0027741 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.5 Cc1cccnc1Cl CUR-0008797 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.5 Cc1cccnc1N CUR-0101662 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.5 Cc1ccncc1N CUR-0015782 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.5 Cc1cnc[nH]c1=O CUR-0099608 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.5 c1cc(c(nc1)Br)O CUR-0102938 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.5 c1cc(c(nc1)Cl)Br CUR-0021367 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.5 c1cc(c(nc1)Cl)Cl CUR-0008816 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.5 c1cc(c(nc1)Cl)F CUR-0101985 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.5 c1cc(c(nc1)Cl)N CUR-0012143 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.5 c1cc(c(nc1)Cl)O CUR-0101955 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.5 c1cc(c(nc1)N)Cl CUR-0099703 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.5 c1cc(c(nc1)N)O CUR-0101679 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.5 c1ccc(c(c1)Cl)Cl CUR-0100912 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.5 c1ccc(c(c1)F)F CUR-0101718 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.5 c1ccc(c(c1)F)I CUR-0103700 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.5 c1ccc(c(c1)N)Br CUR-0101226 [0,1,0,0,0,0|1,0,0]=2 193 B8R1.5 c1ccc(c(c1)N)Cl CUR-0011852 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.5 c1ccc(c(c1)N)Cl CUR-0101218 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.5 c1ccc(c(c1)N)F CUR-0008308 [0,1,0,0,0,0|1,0,0]=2 196 B8R1.5 c1ccc(c(c1)N)I CUR-0103679 [0,1,0,0,0,0|1,0,0]=2 197 B8R1.5 c1ccc(c(c1)N)N CUR-0004938 [0,1,0,0,0,0|1,0,0]=2 198 B8R1.5 c1ccc(c(c1)N)N CUR-0101213 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.5 c1ccc(c(c1)N)O CUR-0006752 [0,1,0,0,0,0|1,0,0]=2 200 B8R1.5 c1ccc(c(c1)N)S CUR-0101198 [0,1,0,0,0,0|1,0,0]=2 201 B8R1.5 c1ccc(c(c1)O)Cl CUR-0101933 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.5 c1ccc(c(c1)O)F CUR-0005154 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.5 c1ccc(c(c1)O)O CUR-0028892 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.5 c1ccc(c(c1)O)S CUR-0002675 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.5 c1cncc(c1Cl)Cl CUR-0102305 [0,1,0,0,0,0|1,0,0]=2 206 B8R1.5 c1cncc(c1N)Br CUR-0096183 [0,1,0,0,0,0|0,0,0]=1 207 B8R1.5 c1cncc(c1N)N CUR-0026365 [0,1,0,0,0,0|0,0,0]=1 208 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [0,0,0,0,1,0|1,0,2]=4 209 B6R1.2 Cc1[nH]ccn1 CUR-0003878 [0,0,0,0,1,0|3,0,0]=4 210 B6R1.2 Cc1cc[nH]n1 CUR-0101477 [0,0,0,0,1,0|2,0,1]=4 211 B6R1.2 Cc1ccco1 CUR-0026171 [0,0,0,0,1,0|2,0,0]=3 212 B6R1.2 Cc1cccs1 CUR-0101571 [0,0,0,0,1,0|2,0,0]=3 213 B6R1.2 Cc1ccno1 CUR-0100786 [0,0,0,0,1,0|2,0,0]=3 214 B6R1.2 Cc1ccsc1 CUR-0006917 [0,0,0,0,1,0|2,0,0]=3 215 B6R1.2 Cc1cscn1 CUR-0101579 [0,0,0,0,1,0|3,0,0]=4 216 B6R1.2 Cn1cccc1 CUR-0101475 [0,0,0,0,1,0|2,0,0]=3 217 B6R1.2 Cn1cccn1 CUR-0023331 [0,0,0,0,1,0|3,0,0]=4 218 B6R1.2 Cn1ccnc1 CUR-0022901 [0,0,0,0,1,0|2,0,0]=3 219 B6R1.2 c1([nH]nnn1)N CUR-0015205 [0,0,0,0,1,0|3,0,0]=4 220 B6R1.2 c1(nnns1)N CUR-0095868 [0,0,0,0,1,0|3,0,0]=4 221 B6R1.2 c1[nH]nc(n1)N CUR-0003118 [0,0,0,0,1,0|2,0,1]=4 222 B6R1.2 c1c(cn[nH]1)Br CUR-0028319 [0,0,0,0,1,0|2,0,0]=3 223 B6R1.2 c1c(cn[nH]1)N CUR-0003042 [0,0,0,0,1,0|1,0,0]=2 224 B6R1.2 c1c(con1)N CUR-0100627 [0,0,0,0,1,0|1,0,0]=2 225 B6R1.2 c1c(nsn1)Cl CUR-0099633 [0,0,0,0,1,0|3,0,0]=4 226 B6R1.2 c1c[nH]nc1N CUR-0101482 [0,0,0,0,1,0|1,0,1]=3 227 B6R1.2 c1cc(sc1)Br CUR-0102679 [0,0,0,0,1,0|2,0,0]=3 228 B6R1.2 c1cc(sc1)Cl CUR-0013952 [0,0,0,0,1,0|2,0,0]=3 229 B6R1.2 c1cc(sc1)I CUR-0103583 [0,0,0,0,1,0|2,0,0]=3 230 B6R1.2 c1cnc([nH]1)S CUR-0010371 [0,0,0,0,1,0|3,0,0]=4 231 B6R1.2 c1coc(=S)[nH]1 CUR-0096935 [0,0,0,0,1,0|3,0,0]=4 232 B6R1.2 c1coc(n1)N CUR-0003564 [0,0,0,0,1,0|2,0,0]=3 233 B6R1.2 c1cocc1Br CUR-0102292 [0,0,0,0,1,0|2,0,0]=3 234 B6R1.2 c1conc1N CUR-0101483 [0,0,0,0,1,0|2,0,0]=3 235 B6R1.2 c1csc(n1)Br CUR-0013712 [0,0,0,0,1,0|3,0,0]=4 236 B6R1.2 c1csc(n1)N CUR-0023749 [0,0,0,0,1,0|2,0,0]=3 237 B6R1.2 c1cscc1Br CUR-0102678 [0,0,0,0,1,0|2,0,0]=3 238 B6R1.2 c1cscc1F CUR-0098914 [0,0,0,0,1,0|2,0,0]=3 239 B6R1.2 c1cscc1N CUR-0103243 [0,0,0,0,1,0|1,0,0]=2 240 B6R1.2 c1nnc(o1)N CUR-0009126 [0,0,0,0,1,0|2,0,0]=3 241 B6R1.2 c1nnc(s1)Cl CUR-0000896 [0,0,0,0,1,0|3,0,0]=4 242 B6R1.2 c1nncn1N CUR-0096691 [0,0,0,0,1,0|2,0,0]=3 243 B7R1.1 CCc1cccs1 CUR-0101705 [0,1,0,0,1,0|2,0,0]=4 244 B7R1.1 c1[nH]c(nn1)CN CUR-0122284 [0,1,0,0,1,0|2,0,0]=4 245 B7R1.1 c1c([nH]cn1)CCl CUR-0120555 [0,1,0,0,1,0|2,0,0]=4 246 B7R1.1 c1c(cn[nH]1)CN CUR-0019813 [0,1,0,0,1,0|1,0,0]=3 247 B7R1.1 c1c(con1)CN CUR-0100648 [0,1,0,0,1,0|1,0,0]=3 248 B7R1.1 c1c(ocn1)CN CUR-0161748 [0,1,0,0,1,0|1,0,0]=3 249 B7R1.1 c1cc([nH]c1)C=O CUR-0101556 [0,1,0,0,1,0|2,0,0]=4 250 B7R1.1 c1cc(oc1)C#N CUR-0101548 [0,1,0,0,1,0|1,0,1]=4 251 B7R1.1 c1cc(oc1)C=O CUR-0027369 [0,1,0,0,1,0|2,0,0]=4 252 B7R1.1 c1cc(oc1)CN CUR-0006239 [0,1,0,0,1,0|1,0,0]=3 253 B7R1.1 c1cc(oc1)CO CUR-0018391 [0,1,0,0,1,0|2,0,0]=4 254 B7R1.1 c1cc(oc1)CS CUR-0101724 [0,1,0,0,1,0|2,0,0]=4 255 B7R1.1 c1cc(sc1)C#N CUR-0101678 [0,1,0,0,1,0|1,0,1]=4 256 B7R1.1 c1cc(sc1)C=O CUR-0025426 [0,1,0,0,1,0|2,0,0]=4 257 B7R1.1 c1cc(sc1)CN CUR-0000390 [0,1,0,0,1,0|1,0,0]=3 258 B7R1.1 c1cc(sc1)CO CUR-0023830 [0,1,0,0,1,0|2,0,0]=4 259 B7R1.1 c1cn[nH]c1CN CUR-0011116 [0,1,0,0,1,0|1,0,0]=3 260 B7R1.1 c1cnoc1CN CUR-0084598 [0,1,0,0,1,0|1,0,0]=3 261 B7R1.1 c1cocc1C=O CUR-0101559 [0,1,0,0,1,0|2,0,0]=4 262 B7R1.1 c1cscc1C#N CUR-0101677 [0,1,0,0,1,0|1,0,1]=4 263 B7R1.1 c1cscc1C=O CUR-0026809 [0,1,0,0,1,0|2,0,0]=4 264 B7R1.1 c1cscc1CO CUR-0029172 [0,1,0,0,1,0|2,0,0]=4 265 B7R1.2 C1=CC(=O)NC1=O CUR-0011255 [0,1,0,0,1,0|2,0,0]=4 266 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [0,1,0,0,1,0|2,0,0]=4 267 B7R1.2 Cc1cc(n[nH]1)C CUR-0012171 [0,1,0,0,1,0|2,0,0]=4 268 B7R1.2 Cc1cc(n[nH]1)N CUR-0013118 [0,1,0,0,1,0|1,0,1]=4 269 B7R1.2 Cc1cc(no1)N CUR-0024529 [0,1,0,0,1,0|2,0,0]=4 270 B7R1.2 Cc1cc(on1)C CUR-0101566 [0,1,0,0,1,0|2,0,0]=4 271 B7R1.2 Cc1cc(on1)N CUR-0022581 [0,1,0,0,1,0|1,0,0]=3 272 B7R1.2 Cc1cc(sn1)N CUR-0102387 [0,1,0,0,1,0|1,0,0]=3 273 B7R1.2 Cc1ccc(o1)C CUR-0101561 [0,1,0,0,1,0|2,0,0]=4 274 B7R1.2 Cc1ccc(s1)C CUR-0012643 [0,1,0,0,1,0|2,0,0]=4 275 B7R1.2 Cc1cnc(s1)N CUR-0101725 [0,1,0,0,1,0|2,0,0]=4 276 B7R1.2 Cc1coc(n1)N CUR-0010957 [0,1,0,0,1,0|2,0,0]=4 277 B7R1.2 Cc1csc(n1)N CUR-0099540 [0,1,0,0,1,0|2,0,0]=4 278 B7R1.2 Cc1nnc(s1)N CUR-0101740 [0,1,0,0,1,0|2,0,0]=4 279 B7R1.2 Cn1cc(cn1)I CUR-0001879 [0,1,0,0,1,0|2,0,0]=4 280 B7R1.2 Cn1cc(cn1)N CUR-0010797 [0,1,0,0,1,0|1,0,0]=3 281 B7R1.2 Cn1cc(cn1)N CUR-0100632 [0,1,0,0,1,0|1,0,0]=3 282 B7R1.2 Cn1cc(cn1)O CUR-0006197 [0,1,0,0,1,0|2,0,0]=4 283 B7R1.2 c1(nnc(s1)Br)N CUR-0022639 [0,1,0,0,1,0|2,0,0]=4 284 B7R1.2 c1(nnc(s1)S)N CUR-0102017 [0,1,0,0,1,0|2,0,0]=4 285 B7R1.2 c1c(sc(n1)Br)Br CUR-0006343 [0,1,0,0,1,0|2,0,0]=4 286 B7R1.4 Cc1c(c[nH]n1)Br CUR-0100170 [0,1,0,0,1,0|2,0,0]=4 287 B7R1.4 Cc1c(non1)N CUR-0099852 [0,1,0,0,1,0|2,0,0]=4 288 B7R1.4 Cc1nccn1C CUR-0101394 [0,1,0,0,1,0|2,0,0]=4 289 B7R1.4 Cn1ccnc1S CUR-0016488 [0,1,0,0,1,0|2,0,0]=4 290 B7R1.4 c1(c(nsn1)N)N CUR-0099636 [0,1,0,0,1,0|2,0,0]=4 291 B7R1.4 c1[nH]c(c(n1)Br)Br CUR-0100573 [0,1,0,0,1,0|2,0,0]=4 292 B7R1.4 c1[nH]c(c(n1)Br)Cl CUR-0121747 [0,1,0,0,1,0|2,0,0]=4 293 B7R1.4 c1[nH]c(c(n1)Cl)Cl CUR-0102084 [0,1,0,0,1,0|2,0,0]=4 294 B7R1.4 c1csc(c1Br)Br CUR-0018312 [0,1,0,0,1,0|2,0,0]=4 295 B9R1.5 c1ccc(c(=O)cc1)O CUR-0101821 [0,1,0,0,0,1|2,0,0]=4 296 B9R1.1 CCc1ccc(cc1)N CUR-0101815 [0,2,0,0,0,0|1,0,0]=3 297 B9R1.1 CCc1ccc(cc1)O CUR-0101831 [0,2,0,0,0,0|2,0,0]=4 298 B9R1.1 CNc1ccc(cc1)O CUR-0022262 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.1 CNc1ccc(cc1)O CUR-0101222 [0,2,0,0,0,0|1,0,0]=3 300 B9R1.1 COc1ccc(cc1)Cl CUR-0048268 [0,2,0,0,0,0|2,0,0]=4 301 B9R1.1 COc1ccc(cc1)F CUR-0101887 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.1 COc1ccc(cc1)I CUR-0103822 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.1 COc1ccc(cc1)N CUR-0100837 [0,2,0,0,0,0|1,0,0]=3 304 B9R1.1 COc1ccc(cc1)O CUR-0028796 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.1 COc1ccc(cc1)S CUR-0102143 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.1 COc1ccc(cn1)N CUR-0003326 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.1 CSc1ccc(cc1)N CUR-0102131 [0,2,0,0,0,0|1,0,0]=3 308 B9R1.1 Cc1ccc(cc1)C#N CUR-0014965 [0,2,0,0,0,0|1,0,1]=4 309 B9R1.1 Cc1ccc(cc1)C=C CUR-0101785 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.1 Cc1ccc(cc1)C=O CUR-0006736 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.1 Cc1ccc(cc1)CCl CUR-0102151 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.1 Cc1ccc(cc1)CN CUR-0101819 [0,2,0,0,0,0|1,0,0]=3 313 B9R1.1 Cc1ccc(cc1)NN CUR-0013436 [0,2,0,0,0,0|1,0,0]=3 314 B9R1.1 Cc1ccc(cc1)NN CUR-0101391 [0,2,0,0,0,0|1,0,0]=3 315 B9R1.1 Cc1ccc(cc1)NN CUR-0102589 [0,2,0,0,0,0|1,0,0]=3 316 B9R1.1 Cc1ccc(cc1)OC CUR-0101834 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.1 c1cc(ccc1C#N)Br CUR-0103110 [0,2,0,0,0,0|1,0,1]=4 318 B9R1.1 c1cc(ccc1C#N)Cl CUR-0102105 [0,2,0,0,0,0|1,0,1]=4 319 B9R1.1 c1cc(ccc1C#N)F CUR-0022534 [0,2,0,0,0,0|1,0,1]=4 320 B9R1.1 c1cc(ccc1C#N)N CUR-0101775 [0,2,0,0,0,0|1,0,0]=3 321 B9R1.1 c1cc(ccc1C#N)O CUR-0011114 [0,2,0,0,0,0|1,0,1]=4 322 B9R1.1 c1cc(ccc1C=O)Br CUR-0103167 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.1 c1cc(ccc1C=O)Cl CUR-0017463 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.1 c1cc(ccc1C=O)F CUR-0100769 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.1 c1cc(ccc1C=O)I CUR-0046448 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.1 c1cc(ccc1C=O)O CUR-0004120 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.1 c1cc(ccc1CBr)Br CUR-0103921 [0,2,0,0,0,0|2,0,0]=4 328 B9R1.1 c1cc(ccc1CBr)F CUR-0103233 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.1 c1cc(ccc1CCl)Br CUR-0048248 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.1 c1cc(ccc1CCl)Cl CUR-0100970 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.1 c1cc(ccc1CCl)F CUR-0100845 [0,2,0,0,0,0|2,0,0]=4 332 B9R1.1 c1cc(ccc1CCl)N CUR-0101273 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.1 c1cc(ccc1CN)Br CUR-0103189 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.1 c1cc(ccc1CN)Cl CUR-0102174 [0,2,0,0,0,0|1,0,0]=3 335 B9R1.1 c1cc(ccc1CN)F CUR-0005028 [0,2,0,0,0,0|1,0,0]=3 336 B9R1.1 c1cc(ccc1CN)N CUR-0038242 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.1 c1cc(ccc1CN)O CUR-0100730 [0,2,0,0,0,0|1,0,0]=3 338 B9R1.1 c1cc(ccc1NN)F CUR-0019213 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.1 c1cc(ccc1NN)F CUR-0101390 [0,2,0,0,0,0|1,0,0]=3 340 B9R1.1 c1cc(ccc1[N+]#N)F CUR-0063125 [0,2,0,0,0,0|1,0,1]=4 341 B9R1.1 c1cc(ncc1C#N)N CUR-0101791 [0,2,0,0,0,0|2,0,0]=4 342 B9R1.2 CCc1cc(ncn1)Br CUR-0017866 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.2 CCc1cc(ncn1)Cl CUR-0097045 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.2 COc1cccc(c1)N CUR-0007825 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.2 COc1cccc(c1)O CUR-0013270 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.2 COc1ccnc(c1)N CUR-0096839 [0,2,0,0,0,0|1,0,0]=3 347 B9R1.2 COc1ccnc(n1)Cl CUR-0029215 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.2 CSc1cccc(c1)N CUR-0102130 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.2 Cc1cccc(c1)C#N CUR-0101768 [0,2,0,0,0,0|1,0,1]=4 350 B9R1.2 Cc1cccc(c1)C=O CUR-0023642 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.2 Cc1cccc(c1)CCl CUR-0102150 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.2 Cc1cccc(c1)NN CUR-0102590 [0,2,0,0,0,0|1,0,0]=3 353 B9R1.2 Cc1nccc(n1)CN CUR-0028918 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.2 c1cc(cc(c1)Br)C=O CUR-0001107 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.2 c1cc(cc(c1)Br)CBr CUR-0103920 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.2 c1cc(cc(c1)Br)CN CUR-0101379 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.2 c1cc(cc(c1)Br)NN CUR-0108824 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.2 c1cc(cc(c1)Cl)C#N CUR-0100956 [0,2,0,0,0,0|1,0,1]=4 359 B9R1.2 c1cc(cc(c1)Cl)C=O CUR-0022345 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.2 c1cc(cc(c1)Cl)CBr CUR-0103527 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.2 c1cc(cc(c1)Cl)CCl CUR-0102628 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.2 c1cc(cc(c1)Cl)NN CUR-0101095 [0,2,0,0,0,0|1,0,0]=3 363 B9R1.2 c1cc(cc(c1)F)C#N CUR-0101808 [0,2,0,0,0,0|1,0,1]=4 364 B9R1.2 c1cc(cc(c1)F)C=O CUR-0022907 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.2 c1cc(cc(c1)F)CBr CUR-0100972 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.2 c1cc(cc(c1)F)CCl CUR-0009113 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.2 c1cc(cc(c1)N)C#N CUR-0101777 [0,2,0,0,0,0|1,0,0]=3 368 B9R1.2 c1cc(cc(c1)N)CO CUR-0101851 [0,2,0,0,0,0|1,0,0]=3 369 B9R1.2 c1cc(cc(c1)O)C#N CUR-0100957 [0,2,0,0,0,0|1,0,1]=4 370 B9R1.2 c1cc(cc(c1)O)C=O CUR-0101822 [0,2,0,0,0,0|2,0,0]=4 371 B9R1.2 c1cc(cc(c1)O)CO CUR-0101863 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.2 c1cc(nc(c1)N)CN CUR-0153389 [0,2,0,0,0,0|2,0,0]=4 373 B9R1.2 c1cnc(cc1Br)C#N CUR-0042530 [0,2,0,0,0,0|1,0,0]=3 374 B9R1.2 c1cnc(cc1C#N)Cl CUR-0016306 [0,2,0,0,0,0|0,0,1]=3 375 B9R1.2 c1cnc(cc1Cl)C#N CUR-0027051 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.6 B(c1ccccc1)(O)O CUR-0027324 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.6 B(c1ccncc1)(O)O CUR-0101845 [0,2,0,0,0,0|1,0,0]=3 378 B9R1.6 CC(=C)c1ccccc1 CUR-0101783 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.6 CC(=O)c1ccccc1 CUR-0002350 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.6 CC(=O)c1ccncc1 CUR-0002628 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.6 CC(c1ccccc1)Br CUR-0009957 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.6 CC(c1ccccc1)N CUR-0006791 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.6 CC(c1ccccn1)N CUR-0097687 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.6 CC(c1ccncc1)Cl CUR-0026970 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.6 CN(C)c1ccccc1 CUR-0003058 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.6 CN(C)c1ccncc1 CUR-0012964 [0,2,0,0,0,0|0,0,0]=2 387 B9R1.6 C[C@@H](c1ccccc1)N CUR-0100794 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.6 C[C@H](c1ccccc1)N CUR-0019064 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.6 c1cc(cnc1)C(=N)N CUR-0100817 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.6 c1cc(cnc1)C(=O)N CUR-0101823 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.6 c1cc(cnc1)C(=S)N CUR-0102115 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.6 c1ccc(cc1)C(=N)N CUR-0101311 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.6 c1ccc(cc1)C(=N)N CUR-0101314 [0,2,0,0,0,0|1,0,0]=3 394 B9R1.6 c1ccc(cc1)C(=O)Cl CUR-0014056 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.6 c1ccc(cc1)C(=O)N CUR-0000442 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.6 c1ccc(cc1)C(=O)O CUR-0005654 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.6 c1ccc(cc1)C(=S)N CUR-0011425 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.6 c1ccc(cc1)P(Cl)Cl CUR-0009257 [0,2,0,0,0,0|1,1,0]=4 399 B9R1.6 c1ccc(cc1)S(=O)[O-] CUR-0102710 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CUR-0003713 [0,2,0,0,0,0|1,0,1]=4 401 B9R1.6 c1ccnc(c1)C(=N)N CUR-0029247 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.6 c1cnccc1C(=N)N CUR-0100928 [0,2,0,0,0,0|0,0,0]=2 403 B9R1.6 c1cnccc1C(=N)N CUR-0100931 [0,2,0,0,0,0|0,0,0]=2 404 B9R1.6 c1cnccc1C(=O)Cl CUR-0025289 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.6 c1cnccc1C(=O)Cl CUR-0103025 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.6 c1cnccc1C(=O)N CUR-0074407 [0,2,0,0,0,0|0,0,0]=2 407 B9R1.6 c1cnccc1C(=O)O CUR-0000044 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.6 c1cncnc1C(=O)O CUR-0101857 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.6 c1cnncc1C(=O)O CUR-0026801 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.8 CCNc1ccccc1 CUR-0000606 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.8 CCOc1ccccc1 CUR-0022022 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.8 CCSc1ccccc1 CUR-0102116 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.8 CNCc1ccccc1 CUR-0014590 [0,2,0,0,0,0|1,0,0]=3 414 B9R1.8 CNCc1cccnc1 CUR-0029160 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.8 CNCc1ccncc1 CUR-0029135 [0,2,0,0,0,0|0,0,0]=2 416 B9R1.8 c1ccc(cc1)CC#N CUR-0026888 [0,2,0,0,0,0|1,0,1]=4 417 B9R1.8 c1ccc(cc1)CC=O CUR-0101800 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.8 c1ccc(cc1)CCBr CUR-0103169 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.8 c1ccc(cc1)CCCl CUR-0006599 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.8 c1ccc(cc1)CCN CUR-0101814 [0,2,0,0,0,0|1,0,0]=3 421 B9R1.8 c1ccc(cc1)CCO CUR-0012636 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.8 c1ccc(cc1)CNN CUR-0008775 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.8 c1ccc(cc1)CON CUR-0102606 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.8 c1ccc(cc1)N=C=O CUR-0101790 [0,2,0,0,0,0|1,0,1]=4 425 B9R1.8 c1ccc(cc1)N=C=S CUR-0009905 [0,2,0,0,0,0|1,0,1]=4 426 B9R1.8 c1ccnc(c1)CNN CUR-0004430 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.8 c1cnccc1CCN CUR-0097215 [0,2,0,0,0,0|0,0,0]=2 428 B9R1.8 c1cnccc1CNN CUR-0019570 [0,2,0,0,0,0|0,0,0]=2 429 B9R1.15 CCc1ccccc1N CUR-0101239 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.15 CNc1c(cccn1)N CUR-0100740 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.15 COc1ccccc1Br CUR-0103202 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.15 COc1ccccc1F CUR-0101889 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.15 COc1ccccc1I CUR-0103823 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.15 COc1ccccc1N CUR-0026684 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.15 COc1ccccc1N CUR-0101258 [0,2,0,0,0,0|1,0,0]=3 436 B9R1.15 COc1ccccc1O CUR-0101859 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.15 COc1cncnc1Cl CUR-0098594 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.15 COc1cncnc1O CUR-0137425 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.15 CSc1ccccc1N CUR-0102129 [0,2,0,0,0,0|1,0,0]=3 440 B9R1.15 Cc1ccccc1C#N CUR-0101770 [0,2,0,0,0,0|1,0,1]=4 441 B9R1.15 Cc1ccccc1C=O CUR-0101798 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.15 Cc1ccccc1CCl CUR-0000197 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.15 Cc1ccccc1NN CUR-0011970 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.15 Cc1ccccc1OC CUR-0101827 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.15 Cc1cnccc1C#N CUR-0026736 [0,2,0,0,0,0|0,0,1]=3 446 B9R1.15 c1cc(c(nc1)CN)F CUR-0085564 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.15 c1ccc(c(c1)C#N)Cl CUR-0102104 [0,2,0,0,0,0|1,0,1]=4 448 B9R1.15 c1ccc(c(c1)C#N)F CUR-0101409 [0,2,0,0,0,0|1,0,1]=4 449 B9R1.15 c1ccc(c(c1)C#N)N CUR-0101778 [0,2,0,0,0,0|1,0,0]=3 450 B9R1.15 c1ccc(c(c1)C#N)O CUR-0101789 [0,2,0,0,0,0|1,0,1]=4 451 B9R1.15 c1ccc(c(c1)C=O)Br CUR-0103166 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.15 c1ccc(c(c1)C=O)Cl CUR-0001218 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.15 c1ccc(c(c1)C=O)F CUR-0009497 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.15 c1ccc(c(c1)C=O)O CUR-0022364 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.15 c1ccc(c(c1)CBr)Br CUR-0103922 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.15 c1ccc(c(c1)CBr)F CUR-0103234 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.15 c1ccc(c(c1)CCl)Cl CUR-0100771 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.15 c1ccc(c(c1)CN)Cl CUR-0102172 [0,2,0,0,0,0|1,0,0]=3 459 B9R1.15 c1ccc(c(c1)CN)F CUR-0101874 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.15 c1ccc(c(c1)CN)N CUR-0101838 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.15 c1ccc(c(c1)CO)N CUR-0101848 [0,2,0,0,0,0|1,0,0]=3 462 B9R1.15 c1ccc(c(c1)CO)O CUR-0101860 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.15 c1ccc(c(c1)NN)F CUR-0101248 [0,2,0,0,0,0|1,0,0]=3 464 B9R1.69 Cc1c(ccc(n1)N)Br CUR-0027693 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.69 Cc1cc(ccc1Br)N CUR-0103185 [0,2,0,0,0,0|1,0,0]=3 466 B9R1.69 Cc1cc(ccc1Cl)N CUR-0071512 [0,2,0,0,0,0|1,0,0]=3 467 B9R1.69 Cc1cc(ccc1Cl)O CUR-0102207 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.69 Cc1cc(ccc1N)Br CUR-0103186 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.69 Cc1cc(ccc1N)Cl CUR-0102171 [0,2,0,0,0,0|1,0,0]=3 470 B9R1.69 Cc1cc(ccc1N)O CUR-0101849 [0,2,0,0,0,0|1,0,0]=3 471 B9R1.69 Cc1cc(ncc1N)C CUR-0096824 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.69 Cc1ccc(c(c1)Br)C CUR-0101384 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.69 Cc1ccc(c(c1)Br)N CUR-0103187 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.69 Cc1ccc(c(c1)C)C CUR-0020786 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.69 Cc1ccc(c(c1)C)N CUR-0000100 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.69 Cc1ccc(c(c1)C)N CUR-0101206 [0,2,0,0,0,0|1,0,0]=3 477 B9R1.69 Cc1ccc(c(c1)C)O CUR-0101833 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.69 Cc1ccc(c(c1)Cl)C CUR-0102148 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.69 Cc1ccc(c(c1)Cl)N CUR-0102173 [0,2,0,0,0,0|1,0,0]=3 480 B9R1.69 Cc1ccc(c(c1)N)C CUR-0101811 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.69 Cc1ccc(c(c1)N)N CUR-0101837 [0,2,0,0,0,0|1,0,0]=3 482 B9R1.69 Cc1ccc(c(c1)N)O CUR-0101847 [0,2,0,0,0,0|1,0,0]=3 483 B9R1.69 Cc1ccc(c(c1)O)C CUR-0003278 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.69 Cc1ccc(c(c1)O)Cl CUR-0102206 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.69 Cc1ccc(c(c1)O)O CUR-0101112 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.69 Cc1ccc(cc1C)N CUR-0003521 [0,2,0,0,0,0|1,0,0]=3 487 B9R1.69 Cc1ccc(cc1C)O CUR-0101826 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.69 Cc1ccc(cc1Cl)N CUR-0102170 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.69 Cc1ccc(cc1F)N CUR-0101875 [0,2,0,0,0,0|1,0,0]=3 490 B9R1.69 Cc1ccc(cc1N)Cl CUR-0102169 [0,2,0,0,0,0|1,0,0]=3 491 B9R1.69 Cc1ccc(cc1N)F CUR-0101877 [0,2,0,0,0,0|1,0,0]=3 492 B9R1.69 Cc1ccc(cc1N)N CUR-0024388 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.69 Cc1cnc(nc1O)S CUR-0102195 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.69 c1c(c(nc(n1)Cl)Cl)Br CUR-0103772 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.69 c1c(c(nc(n1)Cl)Cl)F CUR-0102800 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.69 c1c(c(nc(n1)Cl)N)N CUR-0096186 [0,2,0,0,0,0|1,0,0]=3 497 B9R1.69 c1c(c(nnc1Cl)Cl)Cl CUR-0103138 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.69 c1cc(c(cc1Br)Cl)N CUR-0006158 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.69 c1cc(c(cc1Br)Cl)O CUR-0103559 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.69 c1cc(c(cc1Br)F)N CUR-0103256 [0,2,0,0,0,0|1,0,0]=3 501 B9R1.69 c1cc(c(cc1Cl)Cl)Cl CUR-0103105 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.69 c1cc(c(cc1Cl)Cl)N CUR-0102643 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.69 c1cc(c(cc1Cl)Cl)O CUR-0102676 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.69 c1cc(c(cc1Cl)F)N CUR-0013011 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.69 c1cc(c(cc1Cl)N)Cl CUR-0026570 [0,2,0,0,0,0|1,0,0]=3 506 B9R1.69 c1cc(c(cc1Cl)N)N CUR-0007770 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.69 c1cc(c(cc1Cl)N)O CUR-0102223 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.69 c1cc(c(cc1Cl)N)S CUR-0011544 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.69 c1cc(c(cc1Cl)O)Cl CUR-0102673 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.69 c1cc(c(cc1F)Cl)N CUR-0102267 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.69 c1cc(c(cc1F)F)N CUR-0020803 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.69 c1cc(c(cc1F)F)O CUR-0101959 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.69 c1cc(c(cc1F)N)F CUR-0101943 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.69 c1cc(c(cc1I)I)N CUR-0025334 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.69 c1cc(c(cc1N)Cl)Cl CUR-0102640 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.69 c1cc(c(cc1N)Cl)F CUR-0102265 [0,2,0,0,0,0|1,0,0]=3 517 B9R1.69 c1cc(c(cc1N)F)Cl CUR-0102264 [0,2,0,0,0,0|1,0,0]=3 518 B9R1.69 c1cc(c(cc1N)F)F CUR-0101941 [0,2,0,0,0,0|1,0,0]=3 519 B9R1.69 c1cc(c(cc1N)N)O CUR-0012615 [0,2,0,0,0,0|1,0,0]=3 520 B9R1.69 c1cc(nc(c1N)Br)Br CUR-0097307 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.69 c1cc(nc(c1N)Cl)Br CUR-0023831 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.69 c1cc(nc(c1N)O)Br CUR-0087620 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.3 Cc1c(c(ccn1)N)Br CUR-0010885 [0,2,0,0,0,0|0,0,0]=2 524 B9R1.3 Cc1c(cccc1Br)F CUR-0101024 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.3 Cc1c(cccc1Cl)N CUR-0015937 [0,2,0,0,0,0|1,0,0]=3 526 B9R1.3 Cc1c(cccc1Cl)N CUR-0101279 [0,2,0,0,0,0|1,0,0]=3 527 B9R1.3 Cc1c(cccc1O)O CUR-0101864 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.3 Cc1c(cncc1Br)N CUR-0096830 [0,2,0,0,0,0|1,0,0]=3 529 B9R1.3 Cc1c(cncc1Cl)N CUR-0082640 [0,2,0,0,0,0|1,0,0]=3 530 B9R1.3 Cc1c(cncc1I)Br CUR-0096902 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.3 Cc1c(ncnc1Cl)C CUR-0122256 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.3 Cc1c(ncnc1O)C CUR-0097101 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.3 Cc1cccc(c1Br)C CUR-0007560 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.3 Cc1cccc(c1C)Br CUR-0101032 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.3 Cc1cccc(c1C)N CUR-0101813 [0,2,0,0,0,0|1,0,0]=3 536 B9R1.3 Cc1cccc(c1C)O CUR-0101830 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.3 Cc1cccc(c1N)C CUR-0101812 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.3 Cc1cccc(c1O)C CUR-0101828 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.3 Cc1cccc(c1O)O CUR-0101866 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.3 Cn1ccnc(c1=O)Cl CUR-0007105 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.3 c1c(c(c(cn1)I)O)Br CUR-0163333 [0,2,0,0,0,0|1,0,0]=3 542 B9R1.3 c1cc(c(c(c1)Cl)Cl)N CUR-0101272 [0,2,0,0,0,0|1,0,0]=3 543 B9R1.3 c1cc(c(c(c1)Cl)S)Cl CUR-0103042 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.3 c1cc(c(c(c1)F)F)N CUR-0101939 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.3 c1cc(c(c(c1)F)O)O CUR-0101915 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.3 c1cc(c(c(c1)O)O)O CUR-0011139 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.3 c1nc(c(c(n1)Cl)N)N CUR-0097347 [0,2,0,0,0,0|1,0,0]=3 548 B9R1.34 Cc1cc(cc(=O)o1)O CUR-0101880 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.34 Cc1cc(cc(c1)Br)C CUR-0101378 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.34 Cc1cc(cc(c1)C)C CUR-0100978 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.34 Cc1cc(cc(c1)N)C CUR-0101817 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.34 Cc1cc(cc(c1)O)C CUR-0101832 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.34 Cc1cc(cc(c1)O)O CUR-0101865 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.34 Cc1cc(nc(c1)C)C CUR-0011807 [0,2,0,0,0,0|1,0,0]=3 555 B9R1.34 Cc1cc(nc(n1)C)Cl CUR-0102208 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.34 Cc1cc(nc(n1)Cl)C CUR-0097411 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.34 Cc1cc(nc(n1)Cl)Cl CUR-0023974 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.34 Cc1cc(nc(n1)N)C CUR-0019595 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.34 Cc1cc(nc(n1)N)Cl CUR-0020902 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.34 Cc1cc(nc(n1)N)O CUR-0008679 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.34 Cc1cc(nc(n1)S)C CUR-0095430 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.34 Cc1nc(cc(n1)Cl)Cl CUR-0102675 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.34 Cc1nc(cc(n1)Cl)N CUR-0015486 [0,2,0,0,0,0|1,0,0]=3 564 B9R1.34 c1c([nH]c(=O)[nH]c1=O)N CUR-0022900 [0,2,0,0,0,0|1,0,1]=4 565 B9R1.34 c1c(cc(cc1Cl)Cl)N CUR-0102641 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.34 c1c(cc(cc1F)I)N CUR-0099973 [0,2,0,0,0,0|1,0,0]=3 567 B9R1.34 c1c(cc(cc1O)O)O CUR-0101883 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.34 c1c(nc(nc1Cl)N)Cl CUR-0011327 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.34 c1c(nc(nc1O)N)N CUR-0002795 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.34 c1c(nc(nc1O)S)N CUR-0102632 [0,2,0,0,0,0|1,0,0]=3 571 B5R1.1 c1[nH]cnn1 CUR-0013962 [1,0,0,0,1,0|2,0,0]=4 572 B5R1.1 c1c[nH]nc1 CUR-0027742 [1,0,0,0,1,0|1,0,0]=3 573 B5R1.1 c1cc[nH]c1 CUR-0101433 [1,0,0,0,1,0|0,0,1]=3 574 B5R1.1 c1ccoc1 CUR-0017577 [1,0,0,0,1,0|1,0,0]=3 575 B5R1.1 c1ccsc1 CUR-0023526 [1,0,0,0,1,0|1,0,0]=3 576 B5R1.1 c1cnc[nH]1 CUR-0006831 [1,0,0,0,1,0|1,0,0]=3 577 B5R1.1 c1cnn[nH]1 CUR-0101439 [1,0,0,0,1,0|2,0,0]=4 578 B5R1.1 c1cnoc1 CUR-0101437 [1,0,0,0,1,0|1,0,0]=3