0 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [0,0,0,0,0,0|2,1,1]=4 6 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 Cc1c(nc(cn1)Cl)C AB68573 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.69 Cc1c(ncc(n1)Cl)Br AB72477 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.69 Cc1c(ncc(n1)Cl)Cl AB70649 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.69 Cc1c(ncc(n1)Cl)F AB85699 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.69 Cc1c(ncc(n1)Cl)I AB72504 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.69 Cc1c(ncc(n1)Cl)N AB54525 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [0,0,0,0,0,0|2,0,2]=4 41 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [0,0,0,0,0,0|2,0,2]=4 42 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [0,0,0,0,0,0|2,0,2]=4 43 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [0,0,0,0,0,0|2,1,1]=4 45 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [0,0,0,0,0,0|2,0,1]=3 46 B9R1.69 Cc1cc(cnc1Br)F AB53312 [0,0,0,0,0,0|2,1,1]=4 47 B9R1.69 Cc1cc(cnc1Br)N AB13464 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.69 Cc1cc(cnc1Br)O AB53545 [0,0,0,0,0,0|3,0,1]=4 49 B9R1.69 Cc1cc(cnc1C)Br AB64498 [0,0,0,0,0,0|2,1,1]=4 50 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.69 Cc1cc(cnc1C)N AB42833 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [0,0,0,0,0,0|2,0,1]=3 54 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [0,0,0,0,0,0|2,1,1]=4 55 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [0,0,0,0,0,0|2,1,1]=4 56 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.69 Cc1cc(cnc1F)Br AB13475 [0,0,0,0,0,0|2,1,1]=4 59 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [0,0,0,0,0,0|2,0,1]=3 60 B9R1.69 Cc1cc(cnc1F)N AB13474 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.69 Cc1cc(cnc1F)O AB53562 [0,0,0,0,0,0|3,0,1]=4 62 B9R1.69 Cc1cc(cnc1I)Br AB42361 [0,0,0,0,0,0|2,1,1]=4 63 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [0,0,0,0,0,0|2,0,1]=3 64 B9R1.69 Cc1cc(cnc1N)Br AB02787 [0,0,0,0,0,0|2,1,1]=4 65 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [0,0,0,0,0,0|2,0,1]=3 66 B9R1.69 Cc1cc(cnc1N)F AB41238 [0,0,0,0,0,0|2,1,1]=4 67 B9R1.69 Cc1cc(cnc1N)I AB10923 [0,0,0,0,0,0|2,1,1]=4 68 B9R1.69 Cc1cc(cnc1O)Br AB15087 [0,0,0,0,0,0|1,1,2]=4 69 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [0,0,0,0,0,0|1,0,2]=3 70 B9R1.69 Cc1cc(cnc1O)F AB82901 [0,0,0,0,0,0|1,1,2]=4 71 B9R1.69 Cc1cc(cnc1O)I CB10781 [0,0,0,0,0,0|1,1,2]=4 72 B9R1.69 Cc1cc(cnc1O)N AB41215 [0,0,0,0,0,0|2,0,2]=4 73 B9R1.69 Cc1cc(ncc1Br)Cl AB15095 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.69 Cc1cc(ncc1Cl)Cl AB41172 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [0,0,0,0,0,0|3,0,1]=4 76 B9R1.69 Cc1cc(nnc1Cl)Cl PB23168 [0,0,0,0,0,0|3,0,1]=4 77 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [0,0,0,0,0,0|3,1,0]=4 78 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.69 Cc1ccc(cc1I)O MB07177 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.69 Cc1ccc(cc1O)Br MB05210 [0,0,0,0,0,0|2,1,0]=3 88 B9R1.69 Cc1ccc(cc1O)I MB12091 [0,0,0,0,0,0|2,1,0]=3 89 B9R1.69 Cc1ccc(nc1Br)Cl AB62917 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.69 Cc1ccc(nc1N)Cl AB73562 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.69 Cc1ccc(nc1O)F AB82880 [0,0,0,0,0,0|3,1,0]=4 94 B9R1.69 Cc1cnc(cc1Br)Cl AB63102 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.69 Cc1cnc(cc1N)Cl AB65156 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.69 Cc1cnc(cc1O)Cl AB71181 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.69 Cc1cnc(cc1O)F AB71302 [0,0,0,0,0,0|3,1,0]=4 98 B9R1.69 Cn1c(=O)ccc(n1)Cl MB02254 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.69 Cn1cc(ccc1=O)Br PB32830 [0,0,0,0,0,0|3,1,0]=4 100 B9R1.69 Cn1cc(ccc1=O)N PB19693 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.69 Cn1ccc(=O)c(c1)I MB19762 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.69 Cn1ccc(cc1=O)Cl MB19760 [0,0,0,0,0,0|3,0,1]=4 103 B9R1.69 c1c(c(cnc1Br)Br)O AB63125 [0,0,0,0,0,0|3,1,0]=4 104 B9R1.69 c1c(c(cnc1Br)Cl)O AB69302 [0,0,0,0,0,0|3,1,0]=4 105 B9R1.69 c1c(c(cnc1Br)F)O AB69315 [0,0,0,0,0,0|3,1,0]=4 106 B9R1.69 c1c(c(cnc1Cl)Br)Cl AB49334 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.69 c1c(c(cnc1Cl)Br)I AB55676 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.69 c1c(c(cnc1Cl)Br)N PB26428 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.69 c1c(c(cnc1Cl)Br)O AB69298 [0,0,0,0,0,0|3,0,0]=3 110 B9R1.69 c1c(c(cnc1Cl)Cl)I AB66762 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.69 c1c(c(cnc1Cl)Cl)N AB62909 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.69 c1c(c(cnc1Cl)Cl)O AB10186 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.69 c1c(c(cnc1Cl)F)Br AB25947 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.69 c1c(c(cnc1Cl)F)I AB13669 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.69 c1c(c(cnc1Cl)F)N AB71414 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.69 c1c(c(cnc1Cl)F)O AB69309 [0,0,0,0,0,0|3,0,0]=3 117 B9R1.69 c1c(c(cnc1Cl)I)N PB25202 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.69 c1c(c(cnc1Cl)N)Cl AB05110 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.69 c1c(c(cnc1Cl)N)N PB14373 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.69 c1c(c(cnc1Cl)N)O AB69320 [0,0,0,0,0,0|3,0,0]=3 121 B9R1.69 c1c(c(cnc1Cl)O)Cl AB69698 [0,0,0,0,0,0|3,0,1]=4 122 B9R1.69 c1c(c(cnc1Cl)O)N AB69322 [0,0,0,0,0,0|3,0,1]=4 123 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [0,0,0,0,0,0|2,0,1]=3 124 B9R1.69 c1c(c(cnc1N)Cl)O AB42978 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.69 c1c(c(nnc1Cl)Cl)Cl PB23189 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.69 c1c(c(nnc1Cl)Cl)F PB15516 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.69 c1c(c(nnc1Cl)Cl)I AB72089 [0,0,0,0,0,0|3,0,1]=4 128 B9R1.69 c1c(c(nnc1Cl)Cl)N PB32267 [0,0,0,0,0,0|3,0,1]=4 129 B9R1.69 c1c(c(nnc1Cl)N)Br PB19166 [0,0,0,0,0,0|3,0,1]=4 130 B9R1.69 c1c(cnc(c1Br)Cl)Cl AB25941 [0,0,0,0,0,0|2,0,1]=3 131 B9R1.69 c1c(cnc(c1Br)Cl)F AB13638 [0,0,0,0,0,0|2,1,1]=4 132 B9R1.69 c1c(cnc(c1Br)Cl)N CB10761 [0,0,0,0,0,0|3,0,1]=4 133 B9R1.69 c1c(cnc(c1Br)Cl)O CB11311 [0,0,0,0,0,0|3,0,1]=4 134 B9R1.69 c1c(cnc(c1Br)F)Cl AB20989 [0,0,0,0,0,0|2,0,1]=3 135 B9R1.69 c1c(cnc(c1Br)I)Cl AB64692 [0,0,0,0,0,0|2,0,1]=3 136 B9R1.69 c1c(cnc(c1Br)N)Br AB01699 [0,0,0,0,0,0|2,1,1]=4 137 B9R1.69 c1c(cnc(c1Br)N)Cl AB07737 [0,0,0,0,0,0|2,0,1]=3 138 B9R1.69 c1c(cnc(c1Br)N)I AB44276 [0,0,0,0,0,0|2,1,1]=4 139 B9R1.69 c1c(cnc(c1Br)O)Br AB01360 [0,0,0,0,0,0|1,1,2]=4 140 B9R1.69 c1c(cnc(c1Br)O)Cl AB09921 [0,0,0,0,0,0|1,0,2]=3 141 B9R1.69 c1c(cnc(c1Cl)Br)Br PB18868 [0,0,0,0,0,0|2,1,1]=4 142 B9R1.69 c1c(cnc(c1Cl)Br)Cl AB05062 [0,0,0,0,0,0|2,0,1]=3 143 B9R1.69 c1c(cnc(c1Cl)Br)F AB66730 [0,0,0,0,0,0|2,1,1]=4 144 B9R1.69 c1c(cnc(c1Cl)Cl)I PB23692 [0,0,0,0,0,0|2,1,1]=4 145 B9R1.69 c1c(cnc(c1Cl)F)Br AB52757 [0,0,0,0,0,0|2,1,1]=4 146 B9R1.69 c1c(cnc(c1Cl)F)N AB75047 [0,0,0,0,0,0|3,0,1]=4 147 B9R1.69 c1c(cnc(c1Cl)F)O AB43291 [0,0,0,0,0,0|3,0,1]=4 148 B9R1.69 c1c(cnc(c1Cl)N)Br AB63574 [0,0,0,0,0,0|2,1,1]=4 149 B9R1.69 c1c(cnc(c1Cl)N)Cl AB00689 [0,0,0,0,0,0|2,0,1]=3 150 B9R1.69 c1c(cnc(c1Cl)N)F AB50026 [0,0,0,0,0,0|2,1,1]=4 151 B9R1.69 c1c(cnc(c1Cl)N)N AB70626 [0,0,0,0,0,0|3,0,1]=4 152 B9R1.69 c1c(cnc(c1Cl)O)Br AB05076 [0,0,0,0,0,0|1,1,2]=4 153 B9R1.69 c1c(cnc(c1Cl)O)Cl AB03534 [0,0,0,0,0,0|1,0,2]=3 154 B9R1.69 c1c(cnc(c1Cl)O)F AB66743 [0,0,0,0,0,0|1,1,2]=4 155 B9R1.69 c1c(cnc(c1Cl)O)N AB76242 [0,0,0,0,0,0|2,0,2]=4 156 B9R1.69 c1c(cnc(c1Cl)O)O AB71133 [0,0,0,0,0,0|2,0,2]=4 157 B9R1.69 c1c(cnc(c1F)Br)Cl AB62913 [0,0,0,0,0,0|2,0,1]=3 158 B9R1.69 c1c(cnc(c1F)Cl)Br AB14161 [0,0,0,0,0,0|2,1,1]=4 159 B9R1.69 c1c(cnc(c1F)Cl)N AB75042 [0,0,0,0,0,0|3,0,1]=4 160 B9R1.69 c1c(cnc(c1F)Cl)O AB14157 [0,0,0,0,0,0|3,0,1]=4 161 B9R1.69 c1c(cnc(c1F)I)Br AB73520 [0,0,0,0,0,0|2,1,1]=4 162 B9R1.69 c1c(cnc(c1F)N)Cl AB53928 [0,0,0,0,0,0|2,0,1]=3 163 B9R1.69 c1c(cnc(c1F)O)Br AB40961 [0,0,0,0,0,0|1,1,2]=4 164 B9R1.69 c1c(cnc(c1F)O)Cl AB41032 [0,0,0,0,0,0|1,0,2]=3 165 B9R1.69 c1c(cnc(c1I)Cl)Br AB48194 [0,0,0,0,0,0|2,1,1]=4 166 B9R1.69 c1c(cnc(c1I)Cl)F AB13622 [0,0,0,0,0,0|2,1,1]=4 167 B9R1.69 c1c(cnc(c1I)N)Br AB25852 [0,0,0,0,0,0|2,1,1]=4 168 B9R1.69 c1c(cnc(c1I)N)Cl AB42079 [0,0,0,0,0,0|2,0,1]=3 169 B9R1.69 c1c(cnc(c1I)N)F AB48199 [0,0,0,0,0,0|2,1,1]=4 170 B9R1.69 c1c(cnc(c1I)O)Br AB48195 [0,0,0,0,0,0|1,1,2]=4 171 B9R1.69 c1c(cnc(c1N)Br)Br PB32717 [0,0,0,0,0,0|2,1,1]=4 172 B9R1.69 c1c(cnc(c1N)Br)F AB21745 [0,0,0,0,0,0|2,1,1]=4 173 B9R1.69 c1c(cnc(c1N)Cl)Br PB21183 [0,0,0,0,0,0|2,1,1]=4 174 B9R1.69 c1c(cnc(c1N)Cl)Cl AB04748 [0,0,0,0,0,0|2,0,1]=3 175 B9R1.69 c1c(cnc(c1N)Cl)F AB44890 [0,0,0,0,0,0|2,1,1]=4 176 B9R1.69 c1c(cnc(c1N)Cl)I AB17086 [0,0,0,0,0,0|2,1,1]=4 177 B9R1.69 c1c(cnc(c1N)Cl)N AB51565 [0,0,0,0,0,0|3,0,1]=4 178 B9R1.69 c1c(cnc(c1N)Cl)O AB70860 [0,0,0,0,0,0|3,0,1]=4 179 B9R1.69 c1c(cnc(c1N)F)Cl AB25964 [0,0,0,0,0,0|2,0,1]=3 180 B9R1.69 c1c(cnc(c1N)N)Br PB10156 [0,0,0,0,0,0|2,1,1]=4 181 B9R1.69 c1c(cnc(c1N)N)Cl AB08400 [0,0,0,0,0,0|2,0,1]=3 182 B9R1.69 c1c(cnc(c1N)N)I AB60257 [0,0,0,0,0,0|2,1,1]=4 183 B9R1.69 c1c(cnc(c1N)O)Br AB16428 [0,0,0,0,0,0|1,1,2]=4 184 B9R1.69 c1c(cnc(c1N)O)Cl AB40990 [0,0,0,0,0,0|1,0,2]=3 185 B9R1.69 c1c(cnc(c1N)O)N AB64414 [0,0,0,0,0,0|2,0,2]=4 186 B9R1.69 c1c(cnc(c1N)S)Br AB40982 [0,0,0,0,0,0|1,2,1]=4 187 B9R1.69 c1c(cnc(c1N)S)Cl AB41057 [0,0,0,0,0,0|1,1,1]=3 188 B9R1.69 c1c(cnc(c1O)Br)F MB09912 [0,0,0,0,0,0|1,1,1]=3 189 B9R1.69 c1c(cnc(c1O)Cl)Br PB17565 [0,0,0,0,0,0|1,1,1]=3 190 B9R1.69 c1c(cnc(c1O)Cl)Cl AB66760 [0,0,0,0,0,0|1,0,1]=2 191 B9R1.69 c1c(cnc(c1O)Cl)F AB13634 [0,0,0,0,0,0|1,1,1]=3 192 B9R1.69 c1c(cnc(c1O)Cl)N AB76704 [0,0,0,0,0,0|2,0,1]=3 193 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [0,0,0,0,0,0|2,0,1]=3 194 B9R1.69 c1c(nc(c(n1)Br)N)Cl PB25331 [0,0,0,0,0,0|3,0,1]=4 195 B9R1.69 c1c(nc(c(n1)Cl)N)Cl AB70503 [0,0,0,0,0,0|3,0,1]=4 196 B9R1.69 c1c(nc(c(n1)I)Cl)Cl AB69264 [0,0,0,0,0,0|3,0,1]=4 197 B9R1.69 c1c(nc(c(n1)N)Br)Cl AB54749 [0,0,0,0,0,0|3,0,1]=4 198 B9R1.69 c1c(nc(c(n1)N)Cl)Cl AB62777 [0,0,0,0,0,0|3,0,1]=4 199 B9R1.69 c1c(nc(c(n1)N)N)Cl AB71823 [0,0,0,0,0,0|3,0,1]=4 200 B9R1.69 c1cc(c(cc1Br)Br)I AB51495 [0,0,0,0,0,0|3,1,0]=4 201 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [0,0,0,0,0,0|2,1,1]=4 202 B9R1.69 c1cc(c(cc1Br)I)N AB10839 [0,0,0,0,0,0|3,1,0]=4 203 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [0,0,0,0,0,0|2,1,1]=4 204 B9R1.69 c1cc(c(cc1Br)N)I AB51497 [0,0,0,0,0,0|3,1,0]=4 205 B9R1.69 c1cc(c(cc1Br)N)N AB11949 [0,0,0,0,0,0|3,1,0]=4 206 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [0,0,0,0,0,0|2,1,1]=4 207 B9R1.69 c1cc(c(cc1Br)N)S AB54823 [0,0,0,0,0,0|2,2,0]=4 208 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [0,0,0,0,0,0|2,1,0]=3 209 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [0,0,0,0,0,0|2,1,0]=3 210 B9R1.69 c1cc(c(cc1Br)S)N AB07437 [0,0,0,0,0,0|2,2,0]=4 211 B9R1.69 c1cc(c(cc1Cl)I)N PB21792 [0,0,0,0,0,0|3,0,0]=3 212 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [0,0,0,0,0,0|2,0,1]=3 213 B9R1.69 c1cc(c(cc1Cl)N)I AB28269 [0,0,0,0,0,0|3,0,0]=3 214 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [0,0,0,0,0,0|2,0,0]=2 215 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [0,0,0,0,0,0|2,0,0]=2 216 B9R1.69 c1cc(c(cc1Cl)S)N AB13353 [0,0,0,0,0,0|2,1,0]=3 217 B9R1.69 c1cc(c(cc1F)F)I MB00398 [0,0,0,0,0,0|3,1,0]=4 218 B9R1.69 c1cc(c(cc1F)I)N AB01932 [0,0,0,0,0,0|3,1,0]=4 219 B9R1.69 c1cc(c(cc1F)I)O MB14767 [0,0,0,0,0,0|2,1,1]=4 220 B9R1.69 c1cc(c(cc1F)N)N AB01910 [0,0,0,0,0,0|3,1,0]=4 221 B9R1.69 c1cc(c(cc1F)N)S AB54821 [0,0,0,0,0,0|2,2,0]=4 222 B9R1.69 c1cc(c(cc1F)O)I MB25431 [0,0,0,0,0,0|2,1,0]=3 223 B9R1.69 c1cc(c(cc1F)S)N AB54817 [0,0,0,0,0,0|2,2,0]=4 224 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [0,0,0,0,0,0|2,1,1]=4 225 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [0,0,0,0,0,0|2,1,1]=4 226 B9R1.69 c1cc(c(cc1I)F)O MB09308 [0,0,0,0,0,0|2,1,1]=4 227 B9R1.69 c1cc(c(cc1I)I)O MB01999 [0,0,0,0,0,0|2,1,1]=4 228 B9R1.69 c1cc(c(cc1I)N)Cl AB64100 [0,0,0,0,0,0|3,1,0]=4 229 B9R1.69 c1cc(c(cc1I)N)O MB14432 [0,0,0,0,0,0|2,1,1]=4 230 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [0,0,0,0,0,0|2,1,0]=3 231 B9R1.69 c1cc(c(cc1I)O)F MB14983 [0,0,0,0,0,0|2,1,0]=3 232 B9R1.69 c1cc(c(cc1I)O)I MB07529 [0,0,0,0,0,0|2,1,0]=3 233 B9R1.69 c1cc(c(cc1I)O)N MB14436 [0,0,0,0,0,0|2,1,0]=3 234 B9R1.69 c1cc(c(cc1N)Cl)I AB02146 [0,0,0,0,0,0|4,0,0]=4 235 B9R1.69 c1cc(c(cc1N)F)Cl AB08243 [0,0,0,0,0,0|4,0,0]=4 236 B9R1.69 c1cc(c(cc1N)F)I AB42340 [0,0,0,0,0,0|4,0,0]=4 237 B9R1.69 c1cc(c(cc1N)F)N MB08293 [0,0,0,0,0,0|4,0,0]=4 238 B9R1.69 c1cc(c(cc1N)I)Cl MB09944 [0,0,0,0,0,0|4,0,0]=4 239 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [0,0,0,0,0,0|3,0,0]=3 240 B9R1.69 c1cc(c(cc1N)O)F MB13362 [0,0,0,0,0,0|3,0,0]=3 241 B9R1.69 c1cc(c(cc1N)O)I MB37209 [0,0,0,0,0,0|3,0,0]=3 242 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [0,0,0,0,0,0|4,0,0]=4 243 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [0,0,0,0,0,0|4,0,0]=4 244 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [0,0,0,0,0,0|4,0,0]=4 245 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [0,0,0,0,0,0|4,0,0]=4 246 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [0,0,0,0,0,0|4,0,0]=4 247 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [0,0,0,0,0,0|4,0,0]=4 248 B9R1.69 c1cc(c(cc1O)F)I MB11930 [0,0,0,0,0,0|4,0,0]=4 249 B9R1.69 c1cc(c(cc1O)F)N AB09438 [0,0,0,0,0,0|4,0,0]=4 250 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [0,0,0,0,0,0|4,0,0]=4 251 B9R1.69 c1cc(c(cc1O)I)F MB25606 [0,0,0,0,0,0|4,0,0]=4 252 B9R1.69 c1cc(c(cc1O)I)I MB25449 [0,0,0,0,0,0|4,0,0]=4 253 B9R1.69 c1cc(c(cc1O)I)N MB25412 [0,0,0,0,0,0|4,0,0]=4 254 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [0,0,0,0,0,0|4,0,0]=4 255 B9R1.69 c1cc(c(cc1O)N)I MB13452 [0,0,0,0,0,0|4,0,0]=4 256 B9R1.69 c1cc(c(cc1O)N)N MB04238 [0,0,0,0,0,0|4,0,0]=4 257 B9R1.69 c1cc(nc(c1Br)N)Cl AB68223 [0,0,0,0,0,0|4,0,0]=4 258 B9R1.69 c1cc(nc(c1Cl)N)Cl AB06148 [0,0,0,0,0,0|4,0,0]=4 259 B9R1.69 c1cc(nc(c1Cl)O)Br AB84077 [0,0,0,0,0,0|3,1,0]=4 260 B9R1.69 c1cc(nc(c1Cl)O)Cl AB10185 [0,0,0,0,0,0|3,0,0]=3 261 B9R1.69 c1cc(nc(c1Cl)O)N AB84080 [0,0,0,0,0,0|4,0,0]=4 262 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [0,0,0,0,0,0|4,0,0]=4 263 B9R1.69 c1cc(nc(c1F)Br)Cl AB74954 [0,0,0,0,0,0|4,0,0]=4 264 B9R1.69 c1cc(nc(c1F)N)Cl AB73059 [0,0,0,0,0,0|4,0,0]=4 265 B9R1.69 c1cc(nc(c1F)O)Cl AB83102 [0,0,0,0,0,0|3,0,0]=3 266 B9R1.69 c1cc(nc(c1N)Br)Cl PB34600 [0,0,0,0,0,0|4,0,0]=4 267 B9R1.69 c1cc(nc(c1N)Cl)Cl AB01354 [0,0,0,0,0,0|4,0,0]=4 268 B9R1.69 c1cc(nc(c1N)N)Cl PB14154 [0,0,0,0,0,0|4,0,0]=4 269 B9R1.69 c1cc(nc(c1N)O)Br AB26870 [0,0,0,0,0,0|3,1,0]=4 270 B9R1.69 c1cc(nc(c1O)Cl)Cl AB62926 [0,0,0,0,0,0|3,0,1]=4 271 B9R1.69 c1cc(nc(c1O)N)Cl AB69334 [0,0,0,0,0,0|3,0,1]=4 272 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [1,0,0,0,0,0|2,0,0]=3 273 B8R1.3 Cc1ccc(cn1)Br AB06624 [1,0,0,0,0,0|1,1,1]=4 274 B8R1.3 Cc1ccc(cn1)Cl AB17956 [1,0,0,0,0,0|1,0,1]=3 275 B8R1.3 Cc1ccc(cn1)F PB18589 [1,0,0,0,0,0|1,1,1]=4 276 B8R1.3 Cc1ccc(cn1)N PB32227 [1,0,0,0,0,0|2,0,1]=4 277 B8R1.3 Cc1ccc(cn1)O PB30543 [1,0,0,0,0,0|2,0,1]=4 278 B8R1.3 Cc1ccc(nc1)Br PB17145 [1,0,0,0,0,0|2,0,1]=4 279 B8R1.3 Cc1ccc(nc1)Cl AB07104 [1,0,0,0,0,0|2,0,1]=4 280 B8R1.3 Cc1ccc(nc1)F AB01857 [1,0,0,0,0,0|2,0,1]=4 281 B8R1.3 Cc1ccc(nc1)N AB17938 [1,0,0,0,0,0|2,0,1]=4 282 B8R1.3 Cc1ccc(nc1)O AB13138 [1,0,0,0,0,0|1,0,2]=4 283 B8R1.3 Cc1ccc(nn1)Cl PB20885 [1,0,0,0,0,0|2,0,1]=4 284 B8R1.3 Cc1cnc(cn1)Cl AB02272 [1,0,0,0,0,0|2,0,1]=4 285 B8R1.3 Cc1ncc(cn1)Cl AB56396 [1,0,0,0,0,0|2,0,1]=4 286 B8R1.3 c1c(cnc(n1)Cl)Cl PB33909 [1,0,0,0,0,0|2,0,1]=4 287 B8R1.3 c1c(cnc(n1)N)Cl AB01163 [1,0,0,0,0,0|2,0,1]=4 288 B8R1.3 c1c(cnc(n1)O)Cl AB03656 [1,0,0,0,0,0|1,0,2]=4 289 B8R1.3 c1c(ncc(n1)Br)Cl PB26374 [1,0,0,0,0,0|2,0,1]=4 290 B8R1.3 c1c(ncc(n1)Cl)Cl PB21866 [1,0,0,0,0,0|2,0,1]=4 291 B8R1.3 c1c(ncc(n1)Cl)F AB50800 [1,0,0,0,0,0|2,0,1]=4 292 B8R1.3 c1c(ncc(n1)Cl)N PB14352 [1,0,0,0,0,0|2,0,1]=4 293 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [1,0,0,0,0,0|1,0,2]=4 294 B8R1.3 c1c(ncc(n1)I)Cl AB54777 [1,0,0,0,0,0|2,0,1]=4 295 B8R1.3 c1cc(ncc1Br)Br AB00634 [1,0,0,0,0,0|1,1,1]=4 296 B8R1.3 c1cc(ncc1Br)Cl AB08767 [1,0,0,0,0,0|1,1,1]=4 297 B8R1.3 c1cc(ncc1Br)F PB30707 [1,0,0,0,0,0|1,1,1]=4 298 B8R1.3 c1cc(ncc1Br)N PB30536 [1,0,0,0,0,0|1,1,1]=4 299 B8R1.3 c1cc(ncc1Br)O AB05097 [1,0,0,0,0,0|0,1,2]=4 300 B8R1.3 c1cc(ncc1Br)S AB51097 [1,0,0,0,0,0|0,2,1]=4 301 B8R1.3 c1cc(ncc1Cl)Br AB05069 [1,0,0,0,0,0|1,0,1]=3 302 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [1,0,0,0,0,0|1,0,1]=3 303 B8R1.3 c1cc(ncc1Cl)F AB17577 [1,0,0,0,0,0|1,0,1]=3 304 B8R1.3 c1cc(ncc1Cl)I AB32114 [1,0,0,0,0,0|1,0,1]=3 305 B8R1.3 c1cc(ncc1Cl)N AB00712 [1,0,0,0,0,0|1,0,1]=3 306 B8R1.3 c1cc(ncc1F)Br PB17160 [1,0,0,0,0,0|1,1,1]=4 307 B8R1.3 c1cc(ncc1F)I AB42989 [1,0,0,0,0,0|1,1,1]=4 308 B8R1.3 c1cc(ncc1F)N AB10107 [1,0,0,0,0,0|1,1,1]=4 309 B8R1.3 c1cc(ncc1I)Br PB14333 [1,0,0,0,0,0|1,1,1]=4 310 B8R1.3 c1cc(ncc1I)Cl AB10394 [1,0,0,0,0,0|1,1,1]=4 311 B8R1.3 c1cc(ncc1I)N PB25985 [1,0,0,0,0,0|1,1,1]=4 312 B8R1.3 c1cc(ncc1I)O AB05112 [1,0,0,0,0,0|0,1,2]=4 313 B8R1.3 c1cc(ncc1N)Br PB17224 [1,0,0,0,0,0|2,0,1]=4 314 B8R1.3 c1cc(ncc1N)Cl AB00661 [1,0,0,0,0,0|2,0,1]=4 315 B8R1.3 c1cc(ncc1N)F PB33962 [1,0,0,0,0,0|2,0,1]=4 316 B8R1.3 c1cc(ncc1N)O AB15078 [1,0,0,0,0,0|1,0,2]=4 317 B8R1.3 c1cc(ncc1O)Br PB15771 [1,0,0,0,0,0|2,0,1]=4 318 B8R1.3 c1cc(ncc1O)Cl PB32188 [1,0,0,0,0,0|2,0,1]=4 319 B8R1.3 c1cc(ncc1O)F AB08123 [1,0,0,0,0,0|2,0,1]=4 320 B8R1.3 c1cc(ncc1O)I AB50021 [1,0,0,0,0,0|2,0,1]=4 321 B8R1.3 c1cc(ncc1O)N AB15563 [1,0,0,0,0,0|2,0,1]=4 322 B8R1.3 c1cc(nnc1Cl)I PB14577 [1,0,0,0,0,0|2,0,1]=4 323 B8R1.3 c1cc(nnc1N)Cl PB30569 [1,0,0,0,0,0|2,0,1]=4 324 B8R1.3 c1cc(nnc1O)Cl PB29050 [1,0,0,0,0,0|1,0,2]=4 325 B8R1.4 Cc1cc(ccn1)Cl AB01756 [1,0,0,0,0,0|3,0,0]=4 326 B8R1.4 Cc1cc(ccn1)O PB24839 [1,0,0,0,0,0|3,0,0]=4 327 B8R1.4 Cc1cc(cnc1)Br AB09597 [1,0,0,0,0,0|1,1,1]=4 328 B8R1.4 Cc1cc(cnc1)Cl AB17994 [1,0,0,0,0,0|1,0,1]=3 329 B8R1.4 Cc1cc(cnc1)F AB13643 [1,0,0,0,0,0|1,1,1]=4 330 B8R1.4 Cc1cc(cnc1)N AB17573 [1,0,0,0,0,0|2,0,1]=4 331 B8R1.4 Cc1cc(cnc1)O MB01362 [1,0,0,0,0,0|1,0,1]=3 332 B8R1.4 Cc1cc(nnc1)Cl PB14716 [1,0,0,0,0,0|2,0,1]=4 333 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,0,0,0,0,0|3,0,0]=4 334 B8R1.4 Cc1cccc(n1)O AB00679 [1,0,0,0,0,0|3,0,0]=4 335 B8R1.4 Cc1ccnc(c1)Cl PB10051 [1,0,0,0,0,0|3,0,0]=4 336 B8R1.4 Cc1ccnc(c1)O AB03735 [1,0,0,0,0,0|3,0,0]=4 337 B8R1.4 Cc1cncc(n1)Cl AB02267 [1,0,0,0,0,0|2,0,1]=4 338 B8R1.4 c1c(cncc1Br)Br AB01172 [1,0,0,0,0,0|1,1,1]=4 339 B8R1.4 c1c(cncc1Br)Cl AB18001 [1,0,0,0,0,0|1,0,1]=3 340 B8R1.4 c1c(cncc1Br)N PB12251 [1,0,0,0,0,0|1,1,1]=4 341 B8R1.4 c1c(cncc1Br)O PB30658 [1,0,0,0,0,0|0,1,1]=3 342 B8R1.4 c1c(cncc1Cl)Cl AB00743 [1,0,0,0,0,0|1,0,1]=3 343 B8R1.4 c1c(cncc1Cl)F AB21896 [1,0,0,0,0,0|1,0,1]=3 344 B8R1.4 c1c(cncc1Cl)N AB15758 [1,0,0,0,0,0|1,0,1]=3 345 B8R1.4 c1c(cncc1F)F AB14383 [1,0,0,0,0,0|1,1,1]=4 346 B8R1.4 c1c(cncc1F)N AB05123 [1,0,0,0,0,0|1,1,1]=4 347 B8R1.4 c1c(cncc1F)O AB13569 [1,0,0,0,0,0|0,1,1]=3 348 B8R1.4 c1c(cncc1I)Br AB13102 [1,0,0,0,0,0|1,1,1]=4 349 B8R1.4 c1c(cncc1I)Cl AB43784 [1,0,0,0,0,0|1,0,1]=3 350 B8R1.4 c1c(cncc1I)F AB45557 [1,0,0,0,0,0|1,1,1]=4 351 B8R1.4 c1c(cncc1I)I PB19957 [1,0,0,0,0,0|1,1,1]=4 352 B8R1.4 c1c(cncc1I)N AB43802 [1,0,0,0,0,0|1,1,1]=4 353 B8R1.4 c1c(cncc1N)N AB07746 [1,0,0,0,0,0|2,0,1]=4 354 B8R1.4 c1c(cncc1O)N AB17983 [1,0,0,0,0,0|1,0,1]=3 355 B8R1.4 c1c(cncc1O)O MB02073 [1,0,0,0,0,0|1,0,1]=3 356 B8R1.4 c1c(cnnc1Cl)Br AB70142 [1,0,0,0,0,0|2,0,1]=4 357 B8R1.4 c1c(cnnc1Cl)Cl AB61136 [1,0,0,0,0,0|2,0,1]=4 358 B8R1.4 c1c(cnnc1Cl)N PB20792 [1,0,0,0,0,0|2,0,1]=4 359 B8R1.4 c1c(cnnc1N)Cl PB15393 [1,0,0,0,0,0|2,0,1]=4 360 B8R1.4 c1c(cnnc1O)Cl AB61137 [1,0,0,0,0,0|1,0,1]=3 361 B8R1.4 c1c(nc(cn1)Br)Cl AB48957 [1,0,0,0,0,0|2,0,1]=4 362 B8R1.4 c1c(nc(cn1)Cl)Cl PB14072 [1,0,0,0,0,0|2,0,1]=4 363 B8R1.4 c1c(nc(cn1)Cl)F MB14158 [1,0,0,0,0,0|2,0,1]=4 364 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [1,0,0,0,0,0|2,0,1]=4 365 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [1,0,0,0,0,0|1,0,1]=3 366 B8R1.4 c1c(ncnc1Cl)O AB05055 [1,0,0,0,0,0|3,0,0]=4 367 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [1,0,0,0,0,0|3,0,0]=4 368 B8R1.4 c1cc(nc(c1)Br)O AB05100 [1,0,0,0,0,0|2,1,0]=4 369 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [1,0,0,0,0,0|3,0,0]=4 370 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [1,0,0,0,0,0|3,0,0]=4 371 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [1,0,0,0,0,0|3,0,0]=4 372 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [1,0,0,0,0,0|3,0,0]=4 373 B8R1.4 c1cnc(cc1Br)Cl AB16617 [1,0,0,0,0,0|3,0,0]=4 374 B8R1.4 c1cnc(cc1Cl)Br PB23373 [1,0,0,0,0,0|3,0,0]=4 375 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [1,0,0,0,0,0|3,0,0]=4 376 B8R1.4 c1cnc(cc1Cl)F AB17564 [1,0,0,0,0,0|3,0,0]=4 377 B8R1.4 c1cnc(cc1Cl)N PB32361 [1,0,0,0,0,0|3,0,0]=4 378 B8R1.4 c1cnc(cc1Cl)O AB13188 [1,0,0,0,0,0|2,0,0]=3 379 B8R1.4 c1cnc(cc1F)Cl AB17349 [1,0,0,0,0,0|3,0,0]=4 380 B8R1.4 c1cnc(cc1I)Cl PB17253 [1,0,0,0,0,0|3,0,0]=4 381 B8R1.4 c1cnc(cc1N)Cl PB24583 [1,0,0,0,0,0|3,0,0]=4 382 B8R1.4 c1cnc(cc1N)O PB15716 [1,0,0,0,0,0|3,0,0]=4 383 B8R1.4 c1cnc(cc1O)Br AB05095 [1,0,0,0,0,0|2,1,0]=4 384 B8R1.4 c1cnc(cc1O)Cl AB09576 [1,0,0,0,0,0|2,0,0]=3 385 B8R1.4 c1cnc(cc1O)F AB17930 [1,0,0,0,0,0|2,1,0]=4 386 B8R1.4 c1cnc(cc1O)I MB26582 [1,0,0,0,0,0|2,1,0]=4 387 B8R1.4 c1cnc(cc1O)N AB17934 [1,0,0,0,0,0|3,0,0]=4 388 B8R1.4 c1cnc(nc1Cl)O AB68453 [1,0,0,0,0,0|3,0,0]=4 389 B8R1.5 Cc1c(cccn1)Br PB27472 [1,0,0,0,0,0|2,0,1]=4 390 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,0,0,0,0,0|2,0,1]=4 391 B8R1.5 Cc1c(cccn1)F AB48604 [1,0,0,0,0,0|2,0,1]=4 392 B8R1.5 Cc1c(cccn1)N PB33695 [1,0,0,0,0,0|2,0,1]=4 393 B8R1.5 Cc1c(cccn1)O PB18442 [1,0,0,0,0,0|1,0,1]=3 394 B8R1.5 Cc1c(nccn1)O PB12942 [1,0,0,0,0,0|2,0,1]=4 395 B8R1.5 Cc1cccnc1Br AB05448 [1,0,0,0,0,0|2,0,1]=4 396 B8R1.5 Cc1cccnc1Cl AB05179 [1,0,0,0,0,0|2,0,1]=4 397 B8R1.5 Cc1cccnc1N AB17908 [1,0,0,0,0,0|2,0,1]=4 398 B8R1.5 Cc1cccnc1O AB03538 [1,0,0,0,0,0|1,0,2]=4 399 B8R1.5 Cc1ccncc1O PB23391 [1,0,0,0,0,0|3,0,0]=4 400 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,0,0,0,0,0|2,0,1]=4 401 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,0,0,0,0,0|2,0,1]=4 402 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,0,0,0,0,0|2,0,1]=4 403 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,0,0,0,0,0|2,0,1]=4 404 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,0,0,0,0,0|2,0,1]=4 405 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,0,0,0,0,0|2,0,1]=4 406 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,0,0,0,0,0|1,0,1]=3 407 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,0,0,0,0,0|2,0,1]=4 408 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,0,0,0,0,0|2,0,1]=4 409 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,0,0,0,0,0|2,0,1]=4 410 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,0,0,0,0,0|2,0,1]=4 411 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,0,0,0,0,0|2,0,1]=4 412 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,0,0,0,0,0|1,0,1]=3 413 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,0,0,0,0,0|2,0,1]=4 414 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,0,0,0,0,0|2,0,1]=4 415 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,0,0,0,0,0|2,0,1]=4 416 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,0,0,0,0,0|2,0,1]=4 417 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,0,0,0,0,0|2,0,1]=4 418 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,0,0,0,0,0|1,0,1]=3 419 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,0,0,0,0,0|2,0,1]=4 420 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,0,0,0,0,0|2,0,1]=4 421 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,0,0,0,0,0|2,0,1]=4 422 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,0,0,0,0,0|2,0,1]=4 423 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,0,0,0,0,0|1,0,1]=3 424 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,0,0,0,0,0|1,0,1]=3 425 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,0,0,0,0,0|1,1,1]=4 426 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,0,0,0,0,0|1,0,2]=4 427 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,0,0,0,0,0|1,0,2]=4 428 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,0,0,0,0,0|1,0,2]=4 429 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,0,0,0,0,0|1,0,2]=4 430 B8R1.5 c1cn[nH]c(=O)c1Cl PB31005 [1,0,0,0,0,0|2,0,0]=3 431 B8R1.5 c1cncc(c1Br)O AB13187 [1,0,0,0,0,0|3,0,0]=4 432 B8R1.5 c1cncc(c1Cl)O AB12281 [1,0,0,0,0,0|3,0,0]=4 433 B8R1.5 c1cncc(c1F)O AB64515 [1,0,0,0,0,0|3,0,0]=4 434 B8R1.5 c1cncc(c1I)O MB06807 [1,0,0,0,0,0|3,0,0]=4 435 B8R1.5 c1cncc(c1O)Br AB09574 [1,0,0,0,0,0|3,0,0]=4 436 B8R1.5 c1cncc(c1O)F AB18011 [1,0,0,0,0,0|3,0,0]=4 437 B10R1.22 Cn1cc(cc(c1=O)N)Br PB10719 [0,1,0,0,0,0|1,1,0]=3 438 B10R1.25 CCc1ccc(cc1O)Br MB23992 [0,1,0,0,0,0|2,1,0]=4 439 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [0,1,0,0,0,0|2,0,0]=3 440 B10R1.25 CCc1ccc(cc1O)F MB23841 [0,1,0,0,0,0|2,1,0]=4 441 B10R1.25 CCc1ccc(cc1O)I MB23846 [0,1,0,0,0,0|2,1,0]=4 442 B10R1.25 CCc1ccc(cc1O)N MB23852 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.25 CNc1c(cc(cn1)Cl)N AB41038 [0,1,0,0,0,0|2,0,1]=4 444 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [0,1,0,0,0,0|2,0,0]=3 445 B10R1.25 CNc1ccc(cc1O)N MB33015 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [0,1,0,0,0,0|0,1,2]=4 447 B10R1.25 COc1c(cc(cn1)Cl)Br AB43095 [0,1,0,0,0,0|1,0,2]=4 448 B10R1.25 COc1c(cc(cn1)Cl)F AB41066 [0,1,0,0,0,0|1,0,2]=4 449 B10R1.25 COc1c(cc(cn1)Cl)N AB41036 [0,1,0,0,0,0|1,0,2]=4 450 B10R1.25 COc1ccc(cc1O)Cl MB09234 [0,1,0,0,0,0|1,0,1]=3 451 B10R1.25 COc1ccc(cc1O)I MB38179 [0,1,0,0,0,0|1,1,1]=4 452 B10R1.25 COc1cnc(cc1O)Cl AB69306 [0,1,0,0,0,0|2,0,1]=4 453 B10R1.25 CSc1c(cc(cn1)Cl)N AB41053 [0,1,0,0,0,0|1,1,1]=4 454 B10R1.25 CSc1ccc(cc1O)Br MB35434 [0,1,0,0,0,0|1,2,0]=4 455 B10R1.25 CSc1ccc(cc1O)F MB25440 [0,1,0,0,0,0|1,2,0]=4 456 B10R1.25 CSc1ccc(cc1O)I MB29501 [0,1,0,0,0,0|1,2,0]=4 457 B10R1.25 CSc1ccc(cc1O)N MB36502 [0,1,0,0,0,0|2,1,0]=4 458 B10R1.25 Cc1c(ccc(n1)Cl)C=O AB32133 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.25 Cc1c(ncc(n1)Cl)C=O AB85687 [0,1,0,0,0,0|2,0,1]=4 460 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.25 Cc1cc(c(nc1)C=O)Cl AB75087 [0,1,0,0,0,0|2,0,1]=4 463 B10R1.25 Cc1cc(c(nc1)C=O)F AB75163 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.25 Cc1cc(c(nc1)C=O)N AB83746 [0,1,0,0,0,0|2,0,1]=4 465 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [0,1,0,0,0,0|1,0,1]=3 466 B10R1.25 Cc1cc(ccc1C#N)Cl MB00421 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.25 Cc1cc(cnc1C#N)Cl AB71756 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [0,1,0,0,0,0|1,1,1]=4 469 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [0,1,0,0,0,0|1,0,1]=3 470 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [0,1,0,0,0,0|1,1,1]=4 471 B10R1.25 Cc1cc(cnc1CCl)Cl AB75121 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.25 Cc1cc(cnc1CN)Cl AB75120 [0,1,0,0,0,0|2,0,1]=4 473 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [0,1,0,0,0,0|1,0,2]=4 474 B10R1.25 Cc1cc(ncc1C=O)Cl AB32140 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,1,0,0,0,0|2,1,0]=4 480 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.25 c1c(c(cnc1Br)C=O)O AB72645 [0,1,0,0,0,0|2,1,0]=4 482 B10R1.25 c1c(c(cnc1Cl)C=O)Br AB67955 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.25 c1c(c(cnc1Cl)C=O)Cl PB13495 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.25 c1c(c(cnc1Cl)C=O)F AB68027 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.25 c1c(c(cnc1Cl)C=O)N AB52769 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.25 c1c(c(cnc1N)C=O)O AB84438 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.25 c1c(cnc(c1Br)C=O)Br AB48580 [0,1,0,0,0,0|1,1,1]=4 490 B10R1.25 c1c(cnc(c1Cl)C=O)F AB70954 [0,1,0,0,0,0|1,1,1]=4 491 B10R1.25 c1c(cnc(c1F)C#N)Cl AB41064 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.25 c1c(cnc(c1F)C=O)Br PB11091 [0,1,0,0,0,0|1,1,1]=4 493 B10R1.25 c1c(cnc(c1F)C=O)Cl AB70957 [0,1,0,0,0,0|1,0,1]=3 494 B10R1.25 c1c(cnc(c1F)CCl)Cl AB70997 [0,1,0,0,0,0|2,0,1]=4 495 B10R1.25 c1c(cnc(c1F)CN)Cl AB75040 [0,1,0,0,0,0|2,0,1]=4 496 B10R1.25 c1c(cnc(c1N)C#N)Cl AB41049 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.25 c1c(cnc(c1N)C=O)Br AB83734 [0,1,0,0,0,0|1,1,1]=4 498 B10R1.25 c1c(cnc(c1N)C=O)Cl AB83735 [0,1,0,0,0,0|1,0,1]=3 499 B10R1.25 c1c(cnc(c1N)C=O)N AB83749 [0,1,0,0,0,0|2,0,1]=4 500 B10R1.25 c1c(cnc(c1O)C=O)Br AB70969 [0,1,0,0,0,0|0,1,1]=3 501 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [0,1,0,0,0,0|0,0,1]=2 502 B10R1.25 c1c(cnc(c1O)C=O)N AB84581 [0,1,0,0,0,0|1,0,1]=3 503 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl PB10747 [0,1,0,0,0,0|2,0,1]=4 504 B10R1.25 c1c(nc(c(n1)C=O)N)Cl AB72515 [0,1,0,0,0,0|2,0,1]=4 505 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [0,1,0,0,0,0|2,1,0]=4 506 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [0,1,0,0,0,0|2,1,0]=4 507 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [0,1,0,0,0,0|1,1,0]=3 508 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [0,1,0,0,0,0|2,1,0]=4 509 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [0,1,0,0,0,0|2,0,0]=3 510 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [0,1,0,0,0,0|2,0,1]=4 511 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [0,1,0,0,0,0|2,0,0]=3 512 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [0,1,0,0,0,0|2,0,0]=3 513 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [0,1,0,0,0,0|1,0,0]=2 514 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [0,1,0,0,0,0|2,0,0]=3 515 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [0,1,0,0,0,0|2,1,0]=4 516 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [0,1,0,0,0,0|2,1,0]=4 517 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [0,1,0,0,0,0|2,1,0]=4 518 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [0,1,0,0,0,0|2,1,0]=4 519 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [0,1,0,0,0,0|2,1,0]=4 520 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [0,1,0,0,0,0|1,1,0]=3 521 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [0,1,0,0,0,0|2,1,0]=4 522 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [0,1,0,0,0,0|3,0,0]=4 523 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [0,1,0,0,0,0|2,0,0]=3 524 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [0,1,0,0,0,0|3,0,0]=4 525 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [0,1,0,0,0,0|3,0,0]=4 526 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [0,1,0,0,0,0|3,0,0]=4 527 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [0,1,0,0,0,0|3,0,0]=4 528 B10R1.25 c1cc(nc(c1C=O)Br)Cl AB64562 [0,1,0,0,0,0|3,0,0]=4 529 B10R1.25 c1cc(nc(c1C=O)Cl)Cl PB17413 [0,1,0,0,0,0|3,0,0]=4 530 B10R1.25 c1cc(nc(c1C=O)N)Cl AB69707 [0,1,0,0,0,0|3,0,0]=4 531 B10R1.25 c1cc(nc(c1C=O)O)Br AB84532 [0,1,0,0,0,0|2,1,0]=4 532 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.25 c1cc(nc(c1C=O)O)N AB84539 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.30 CNc1cc(cnc1Cl)Cl AB41028 [0,1,0,0,0,0|2,0,1]=4 536 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [0,1,0,0,0,0|2,0,1]=4 537 B10R1.30 COc1c(ncc(n1)Cl)N AB64255 [0,1,0,0,0,0|2,0,1]=4 538 B10R1.30 COc1cc(ccc1Br)O MB00359 [0,1,0,0,0,0|3,0,0]=4 539 B10R1.30 COc1cc(ccc1Cl)O MB25434 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.30 COc1cc(ccc1F)O MB08744 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.30 COc1cc(ccc1I)Br CB11560 [0,1,0,0,0,0|2,1,0]=4 542 B10R1.30 COc1cc(ccc1I)O MB29625 [0,1,0,0,0,0|3,0,0]=4 543 B10R1.30 COc1cc(ccc1N)F MB00562 [0,1,0,0,0,0|2,1,0]=4 544 B10R1.30 COc1cc(ccc1N)O MB01122 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.30 COc1cc(ccc1O)Br PB30583 [0,1,0,0,0,0|1,1,1]=4 546 B10R1.30 COc1cc(ccc1O)I MB05217 [0,1,0,0,0,0|1,1,1]=4 547 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [0,1,0,0,0,0|1,1,1]=4 548 B10R1.30 COc1cc(cnc1Cl)F AB74801 [0,1,0,0,0,0|1,1,1]=4 549 B10R1.30 COc1cc(nnc1Cl)Cl AB06292 [0,1,0,0,0,0|2,0,1]=4 550 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [0,1,0,0,0,0|1,1,1]=4 551 B10R1.30 Cc1c(cc(cn1)Cl)C=O AB62434 [0,1,0,0,0,0|1,0,2]=4 552 B10R1.30 Cc1c(cc(cn1)Cl)CN AB62431 [0,1,0,0,0,0|2,0,1]=4 553 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [0,1,0,0,0,0|2,0,1]=4 554 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,1,0,0,0,0|2,1,0]=4 556 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,1,0,0,0,0|3,0,0]=4 557 B10R1.30 c1c(cnc(c1C#N)O)Cl AB63087 [0,1,0,0,0,0|1,0,2]=4 558 B10R1.30 c1c(cnc(c1C=O)F)Cl AB20969 [0,1,0,0,0,0|1,0,2]=4 559 B10R1.30 c1c(cnc(c1C=O)N)Cl AB58421 [0,1,0,0,0,0|1,0,2]=4 560 B10R1.30 c1c(cnc(c1C=O)O)Cl AB70935 [0,1,0,0,0,0|0,0,3]=4 561 B10R1.30 c1c(cnc(c1CCl)N)Cl AB75385 [0,1,0,0,0,0|2,0,1]=4 562 B10R1.30 c1c(cnc(c1CO)Cl)Br PB17569 [0,1,0,0,0,0|1,1,1]=4 563 B10R1.30 c1c(cnc(c1CO)Cl)F AB13672 [0,1,0,0,0,0|1,1,1]=4 564 B10R1.30 c1c(cnc(c1CO)F)Br PB34780 [0,1,0,0,0,0|1,1,1]=4 565 B10R1.30 c1c(cnc(c1CO)N)Br AB22233 [0,1,0,0,0,0|1,1,1]=4 566 B10R1.30 c1c(cnc(c1CO)N)Br AB44376 [0,1,0,0,0,0|1,1,1]=4 567 B10R1.30 c1c(cnc(c1CO)N)I AB21855 [0,1,0,0,0,0|1,1,1]=4 568 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [0,1,0,0,0,0|2,1,0]=4 569 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [0,1,0,0,0,0|2,1,0]=4 570 B10R1.30 c1cc(c(cc1Cl)C#N)Br AB45293 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [0,1,0,0,0,0|1,0,2]=4 572 B10R1.30 c1cc(c(cc1Cl)CN)N AB23303 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [0,1,0,0,0,0|2,0,1]=4 574 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [0,1,0,0,0,0|2,0,0]=3 575 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [0,1,0,0,0,0|2,1,0]=4 576 B10R1.118 Cc1cc(c(cc1Cl)Cl)N CB11300 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.118 Cc1cc(c(cc1N)Cl)Br CB11038 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.118 c1c(c(cc(c1F)Cl)Cl)N AB16109 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.119 Cc1c(cnc(c1Cl)N)Cl AB03636 [0,1,0,0,0,0|2,0,1]=4 580 B10R1.119 Cc1ccc(c(c1O)C)O AB24905 [0,1,0,0,0,0|3,0,0]=4 581 B10R1.119 Cc1ccc(c(c1O)Cl)N AB13339 [0,1,0,0,0,0|3,0,0]=4 582 B10R1.119 c1c(c(c(c(n1)Cl)N)N)Cl PB19699 [0,1,0,0,0,0|2,0,1]=4 583 B10R1.119 c1cc(c(c(c1Cl)N)Cl)Br PB16810 [0,1,0,0,0,0|3,0,0]=4 584 B10R1.119 c1cc(c(c(c1N)I)F)Cl AB73418 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [0,1,0,0,0,0|3,0,0]=4 587 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [0,1,0,0,0,0|3,0,0]=4 589 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [0,1,0,0,0,0|3,0,0]=4 590 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [0,1,0,0,0,0|3,0,0]=4 592 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [0,1,0,0,0,0|3,0,0]=4 593 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [0,1,0,0,0,0|3,0,0]=4 594 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [0,1,0,0,0,0|3,0,0]=4 595 B10R1.176 COc1cc(c(nc1)Cl)O AB71170 [0,1,0,0,0,0|2,0,1]=4 596 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [0,1,0,0,0,0|3,0,0]=4 597 B10R1.176 COc1ccc(c(c1)O)F MB25573 [0,1,0,0,0,0|3,0,0]=4 598 B10R1.176 COc1ccc(c(c1)O)I MB12203 [0,1,0,0,0,0|3,0,0]=4 599 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [0,1,0,0,0,0|3,0,0]=4 600 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [0,1,0,0,0,0|3,0,0]=4 601 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [0,1,0,0,0,0|3,0,0]=4 602 B10R1.176 Cc1c(cc(cn1)CCl)Cl AB74647 [0,1,0,0,0,0|2,0,1]=4 603 B10R1.176 Cc1c(cc(cn1)CCl)F AB76305 [0,1,0,0,0,0|2,0,1]=4 604 B10R1.176 Cc1cc(cnc1C)CCl AB75391 [0,1,0,0,0,0|2,0,1]=4 605 B10R1.176 Cc1cc(cnc1Cl)CCl AB50053 [0,1,0,0,0,0|2,0,1]=4 606 B10R1.176 Cc1cc(cnc1F)CCl AB64242 [0,1,0,0,0,0|2,0,1]=4 607 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [0,1,0,0,0,0|3,0,0]=4 608 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [0,1,0,0,0,0|3,0,0]=4 609 B10R1.176 Cc1ccc(cc1O)NC MB25401 [0,1,0,0,0,0|3,0,0]=4 610 B10R1.176 Cc1ccc(cc1O)OC MB11905 [0,1,0,0,0,0|3,0,0]=4 611 B10R1.176 Cc1ccc(cc1O)SC MB25438 [0,1,0,0,0,0|3,0,0]=4 612 B10R1.176 c1c(cnc(c1Cl)F)CCl AB70972 [0,1,0,0,0,0|2,0,1]=4 613 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [0,1,0,0,0,0|1,0,2]=4 614 B10R1.176 c1c(cnc(c1F)Br)CCl AB70984 [0,1,0,0,0,0|2,0,1]=4 615 B10R1.176 c1c(cnc(c1F)Cl)CCl AB70665 [0,1,0,0,0,0|2,0,1]=4 616 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [0,1,0,0,0,0|2,0,1]=4 617 B10R1.176 c1c(cnc(c1O)Cl)CCl AB84103 [0,1,0,0,0,0|1,0,1]=3 618 B10R1.176 c1c(cnc(c1O)Cl)CN AB84104 [0,1,0,0,0,0|2,0,1]=4 619 B10R1.176 c1c(ncc(c1O)Cl)CCl AB84042 [0,1,0,0,0,0|3,0,0]=4 620 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [0,1,0,0,0,0|3,0,0]=4 621 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [0,1,0,0,0,0|3,0,0]=4 622 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [0,1,0,0,0,0|3,0,0]=4 623 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [0,1,0,0,0,0|3,0,0]=4 624 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [0,1,0,0,0,0|3,0,0]=4 625 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [0,1,0,0,0,0|3,0,0]=4 626 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [0,1,0,0,0,0|3,0,0]=4 627 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [0,1,0,0,0,0|3,0,0]=4 628 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [0,1,0,0,0,0|3,0,0]=4 629 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [0,1,0,0,0,0|3,0,0]=4 630 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [0,1,0,0,0,0|3,0,0]=4 631 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [0,1,0,0,0,0|3,0,0]=4 632 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [0,1,0,0,0,0|3,0,0]=4 633 B10R1.176 c1cc(c(nc1CCl)O)Cl AB71004 [0,1,0,0,0,0|3,0,0]=4 634 B7R1.3 c1c(cncn1)Cl AB16528 [2,0,0,0,0,0|1,0,1]=4 635 B7R1.3 c1c(cncn1)O PB27730 [2,0,0,0,0,0|1,0,1]=4 636 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|0,1,1]=4 637 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|0,1,1]=4 638 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|0,0,2]=4 639 B7R1.3 c1cc(nnc1)Cl AB30021 [2,0,0,0,0,0|1,0,1]=4 640 B7R1.3 c1cc(nnc1)Cl PB34726 [2,0,0,0,0,0|1,0,1]=4 641 B7R1.3 c1cc(nnc1)O PB32258 [2,0,0,0,0,0|1,0,1]=4 642 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|1,0,1]=4 643 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|1,0,1]=4 644 B7R1.3 c1cnccc1O PB17041 [2,0,0,0,0,0|2,0,0]=4 645 B7R1.3 c1cnncc1Cl AB50535 [2,0,0,0,0,0|1,0,1]=4 646 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.1 C#Cc1ccc(cn1)Cl AB68972 [1,1,0,0,0,0|1,0,1]=4 648 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,1,0,0,0,0|1,0,1]=4 649 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,1,0,0,0,0|0,0,2]=4 651 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,1,0,0,0,0|1,0,1]=4 652 B9R1.1 Cc1ccc(nc1)C=O AB31466 [1,1,0,0,0,0|1,0,1]=4 653 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.1 c1c(cnc(n1)C=O)Cl PB22417 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.1 c1cc(ncc1Br)C=O PB30785 [1,1,0,0,0,0|0,1,1]=4 658 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,1,0,0,0,0|1,0,1]=4 661 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [1,1,0,0,0,0|0,0,1]=3 665 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,1,0,0,0,0|1,0,1]=4 666 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,1,0,0,0,0|1,0,1]=4 667 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,1,0,0,0,0|0,0,2]=4 668 B9R1.1 c1cc(ncc1F)C=O AB42648 [1,1,0,0,0,0|0,1,1]=4 669 B9R1.1 c1cc(ncc1N)C=O AB67740 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.1 c1cc(ncc1O)C=O AB59867 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.1 c1cc(nnc1C=O)Cl PB13298 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.2 C#Cc1cc(cnc1)Cl AB52703 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.2 CNc1cc(cnc1)O MB32689 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.2 COc1cc(cnc1)Br PB24634 [1,1,0,0,0,0|0,1,1]=4 678 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,1,0,0,0,0|0,0,1]=3 679 B9R1.2 COc1cc(cnc1)F AB66777 [1,1,0,0,0,0|0,1,1]=4 680 B9R1.2 COc1cc(cnc1)I AB43793 [1,1,0,0,0,0|0,1,1]=4 681 B9R1.2 COc1cc(cnc1)N PB12653 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.2 COc1cc(cnc1)N PB25488 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.2 COc1cc(cnc1)O AB29711 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.2 COc1cc(nnc1)Cl PB27887 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.2 COc1cccc(n1)Cl AB00671 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.2 COc1ccnc(c1)Cl AB10868 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.2 COc1cncc(n1)Cl PB29367 [1,1,0,0,0,0|1,0,1]=4 688 B9R1.2 CSc1cc(cnc1)O MB28894 [1,1,0,0,0,0|1,0,1]=4 689 B9R1.2 Cc1cc(cnc1)CCl AB55820 [1,1,0,0,0,0|1,0,1]=4 690 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.2 c1c(cncc1Br)CCl AB60029 [1,1,0,0,0,0|1,0,1]=4 693 B9R1.2 c1c(cncc1Br)CCl PB25120 [1,1,0,0,0,0|1,0,1]=4 694 B9R1.2 c1c(cncc1Br)CO PB29242 [1,1,0,0,0,0|0,1,1]=4 695 B9R1.2 c1c(cncc1Cl)C#N AB14095 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.2 c1c(cncc1Cl)C=O PB29540 [1,1,0,0,0,0|0,0,2]=4 697 B9R1.2 c1c(cncc1Cl)CCl AB60038 [1,1,0,0,0,0|1,0,1]=4 698 B9R1.2 c1c(cncc1Cl)CCl PB33259 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.2 c1c(cncc1Cl)CN AB63152 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.2 c1c(cncc1F)CCl PB35002 [1,1,0,0,0,0|1,0,1]=4 701 B9R1.2 c1c(cncc1F)CO PB12255 [1,1,0,0,0,0|0,1,1]=4 702 B9R1.2 c1c(cncc1I)CCl AB45545 [1,1,0,0,0,0|1,0,1]=4 703 B9R1.2 c1c(cncc1I)CO AB45541 [1,1,0,0,0,0|0,1,1]=4 704 B9R1.2 c1c(cncc1N)CO AB31625 [1,1,0,0,0,0|1,0,1]=4 705 B9R1.2 c1c(cncc1O)C#N MB09110 [1,1,0,0,0,0|1,0,1]=4 706 B9R1.2 c1c(cncc1O)C=O AB67779 [1,1,0,0,0,0|1,0,1]=4 707 B9R1.2 c1c(cncc1O)CN MB28837 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [1,1,0,0,0,0|1,0,1]=4 709 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,1,0,0,0,0|1,1,0]=4 710 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.2 c1cnc(cc1CO)Cl PB21002 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.3 Cc1c(cccc1Br)O MB09253 [1,1,0,0,0,0|1,1,0]=4 714 B9R1.3 Cc1c(cccc1I)O MB23347 [1,1,0,0,0,0|1,1,0]=4 715 B9R1.3 Cc1c(ccnc1Cl)O AB71179 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.3 Cc1c(ccnc1O)Cl AB71198 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.3 Cc1c(cncc1Br)Cl AB75733 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.3 Cc1c(cncc1Cl)N AB41999 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.3 Cc1c(cncc1Cl)O AB70586 [1,1,0,0,0,0|0,0,1]=3 720 B9R1.3 Cc1cccc(c1Br)O MB08359 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.3 Cc1cccc(c1Cl)O MB00390 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.3 Cc1cccc(c1I)O MB23494 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.3 Cc1cncc(c1Br)Cl AB74973 [1,1,0,0,0,0|1,0,1]=4 724 B9R1.3 Cc1cncc(c1C)O AB65620 [1,1,0,0,0,0|1,0,1]=4 725 B9R1.3 Cc1cncc(c1Cl)O AB71654 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.3 Cc1cncc(c1F)O AB82936 [1,1,0,0,0,0|1,0,1]=4 727 B9R1.3 Cc1cncc(c1N)Cl AB44879 [1,1,0,0,0,0|1,0,1]=4 728 B9R1.3 Cc1cncc(c1O)Cl AB75744 [1,1,0,0,0,0|1,0,1]=4 729 B9R1.3 c1c(c(c(cn1)Br)Cl)O AB74970 [1,1,0,0,0,0|0,1,1]=4 730 B9R1.3 c1c(c(c(cn1)Br)F)Cl AB82965 [1,1,0,0,0,0|1,0,1]=4 731 B9R1.3 c1c(c(c(cn1)Br)N)Cl AB56437 [1,1,0,0,0,0|1,0,1]=4 732 B9R1.3 c1c(c(c(cn1)Br)O)Cl AB66732 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.3 c1c(c(c(cn1)Cl)Br)Cl MB04163 [1,1,0,0,0,0|1,0,1]=4 734 B9R1.3 c1c(c(c(cn1)Cl)Br)F AB70924 [1,1,0,0,0,0|1,0,1]=4 735 B9R1.3 c1c(c(c(cn1)Cl)Cl)N AB55065 [1,1,0,0,0,0|1,0,1]=4 736 B9R1.3 c1c(c(c(cn1)Cl)F)N AB75054 [1,1,0,0,0,0|1,0,1]=4 737 B9R1.3 c1c(c(c(cn1)Cl)F)O AB82968 [1,1,0,0,0,0|0,0,1]=3 738 B9R1.3 c1c(c(c(cn1)Cl)I)Cl CB10652 [1,1,0,0,0,0|1,0,1]=4 739 B9R1.3 c1c(c(c(cn1)Cl)N)Cl AB03509 [1,1,0,0,0,0|1,0,1]=4 740 B9R1.3 c1c(c(c(cn1)Cl)N)F AB70854 [1,1,0,0,0,0|1,0,1]=4 741 B9R1.3 c1c(c(c(cn1)Cl)N)N AB50200 [1,1,0,0,0,0|1,0,1]=4 742 B9R1.3 c1c(c(c(cn1)Cl)N)O AB83899 [1,1,0,0,0,0|0,0,1]=3 743 B9R1.3 c1c(c(c(cn1)Cl)O)Cl AB02053 [1,1,0,0,0,0|1,0,1]=4 744 B9R1.3 c1c(c(c(cn1)Cl)O)F AB66744 [1,1,0,0,0,0|1,0,1]=4 745 B9R1.3 c1c(c(c(cn1)Cl)O)N AB84022 [1,1,0,0,0,0|1,0,1]=4 746 B9R1.3 c1c(c(c(cn1)Cl)O)O AB84021 [1,1,0,0,0,0|0,0,1]=3 747 B9R1.3 c1c(c(c(cn1)F)Cl)O AB83144 [1,1,0,0,0,0|0,1,1]=4 748 B9R1.3 c1c(c(c(cn1)O)Cl)N AB83874 [1,1,0,0,0,0|1,0,1]=4 749 B9R1.3 c1c(c(c(cn1)O)Cl)O AB83993 [1,1,0,0,0,0|1,0,1]=4 750 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [1,1,0,0,0,0|1,1,0]=4 751 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [1,1,0,0,0,0|1,1,0]=4 752 B9R1.3 c1cc(c(c(c1)Br)O)Cl MB08152 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.3 c1cc(c(c(c1)Cl)Br)N MB08909 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [1,1,0,0,0,0|1,0,0]=3 755 B9R1.3 c1cc(c(c(c1)Cl)I)N AB28280 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [1,1,0,0,0,0|1,0,0]=3 757 B9R1.3 c1cc(c(c(c1)Cl)N)N AB54530 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [1,1,0,0,0,0|1,0,0]=3 759 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [1,1,0,0,0,0|1,1,0]=4 760 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [1,1,0,0,0,0|1,1,0]=4 761 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [1,1,0,0,0,0|1,1,0]=4 762 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [1,1,0,0,0,0|1,1,0]=4 763 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [1,1,0,0,0,0|1,1,0]=4 764 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [1,1,0,0,0,0|1,1,0]=4 765 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [1,1,0,0,0,0|1,1,0]=4 766 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [1,1,0,0,0,0|1,1,0]=4 767 B9R1.3 c1cc(c(c(c1)I)O)Cl MB14795 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.3 c1cnc(c(c1Cl)Cl)O AB71282 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.3 c1cnc(c(c1Cl)F)O AB71156 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.3 c1cnc(c(c1Cl)N)O AB75026 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.3 c1cnc(c(c1Cl)O)O AB83983 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.3 c1cnc(c(c1O)Cl)Cl AB71281 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.3 c1cnc(c(c1O)F)Cl AB69317 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.3 c1cnc(c(c1O)N)Cl AB76250 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.3 c1cnc(c(c1O)O)Cl AB70497 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [1,1,0,0,0,0|1,1,0]=4 782 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [1,1,0,0,0,0|1,0,0]=3 785 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [1,1,0,0,0,0|1,1,0]=4 786 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.34 Cc1cc(nc(c1)Cl)O AB71189 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.34 c1c(cc(cc1Br)I)Cl AB42475 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.34 c1c(cc(cc1Br)I)O MB11855 [1,1,0,0,0,0|1,1,0]=4 791 B9R1.34 c1c(cc(cc1Cl)Br)N AB29734 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.34 c1c(cc(cc1Cl)Br)O AB42547 [1,1,0,0,0,0|1,0,0]=3 793 B9R1.34 c1c(cc(cc1Cl)I)O MB11857 [1,1,0,0,0,0|1,0,0]=3 794 B9R1.34 c1c(cc(cc1F)I)O MB26711 [1,1,0,0,0,0|1,1,0]=4 795 B9R1.34 c1c(cc(cc1I)I)O MB11867 [1,1,0,0,0,0|1,1,0]=4 796 B9R1.34 c1c(cc(cc1O)Br)N MB25497 [1,1,0,0,0,0|1,1,0]=4 797 B9R1.34 c1c(cc(cc1O)F)N MB11825 [1,1,0,0,0,0|1,1,0]=4 798 B9R1.34 c1c(cc(cc1O)I)N MB34300 [1,1,0,0,0,0|1,1,0]=4 799 B9R1.34 c1c(cc(nc1O)Cl)Cl AB62522 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.34 c1c(cc(nc1O)Cl)F AB71139 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.34 c1c(cc(nc1O)F)Cl AB71154 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.15 CCc1c(cccn1)O MB01433 [1,1,0,0,0,0|1,0,1]=4 803 B9R1.15 COc1c(cccn1)O AB06074 [1,1,0,0,0,0|0,0,2]=4 804 B9R1.15 COc1cccnc1Br PB29151 [1,1,0,0,0,0|1,0,1]=4 805 B9R1.15 COc1cccnc1Cl AB14749 [1,1,0,0,0,0|1,0,1]=4 806 B9R1.15 COc1cccnc1I AB05182 [1,1,0,0,0,0|1,0,1]=4 807 B9R1.15 COc1cccnc1N AB40614 [1,1,0,0,0,0|1,0,1]=4 808 B9R1.15 COc1cccnc1O AB43293 [1,1,0,0,0,0|0,0,2]=4 809 B9R1.15 CSc1c(cccn1)O MB01598 [1,1,0,0,0,0|0,1,1]=4 810 B9R1.15 Cc1c(cccn1)CO AB01512 [1,1,0,0,0,0|1,0,1]=4 811 B9R1.15 Cc1c(cccn1)OC AB03569 [1,1,0,0,0,0|1,0,1]=4 812 B9R1.15 Cc1cccnc1C=O PB14292 [1,1,0,0,0,0|1,0,1]=4 813 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,1,0,0,0,0|1,0,1]=4 814 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,1,0,0,0,0|1,0,1]=4 815 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,1,0,0,0,0|1,0,1]=4 816 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,1,0,0,0,0|1,0,1]=4 817 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,1,0,0,0,0|0,0,1]=3 818 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,1,0,0,0,0|1,0,1]=4 819 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,1,0,0,0,0|0,0,2]=4 820 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,1,0,0,0,0|1,0,1]=4 821 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,1,0,0,0,0|1,0,1]=4 822 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,1,0,0,0,0|0,0,2]=4 824 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.15 c1cn[nH]c(=O)c1CN PB11396 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.15 c1cncc(c1C=O)O AB08714 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.15 c1cncc(c1O)C=O AB59870 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.464 c1c(cc(c(c1F)C=O)Cl)Cl CB11634 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.37 COc1c(ccc(n1)Cl)C=O AB64671 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.37 COc1c(ncc(n1)Cl)C=O AB60447 [0,2,0,0,0,0|1,0,1]=4 833 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [0,2,0,0,0,0|1,1,0]=4 834 B11R1.37 c1cc(c(cc1Cl)C#N)C=O MB08901 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [0,2,0,0,0,0|0,1,1]=4 836 B11R1.166 CC(=O)c1c(cc(cn1)Cl)F AB75038 [0,2,0,0,0,0|1,0,1]=4 837 B11R1.166 CC(=O)c1c(cc(cn1)Cl)N AB73056 [0,2,0,0,0,0|1,0,1]=4 838 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,2,0,0,0,0|0,0,1]=3 839 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [0,2,0,0,0,0|1,0,1]=4 840 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,2,0,0,0,0|1,1,0]=4 841 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.166 CC(C)c1ccc(cc1O)Cl MB22600 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.166 CN(C)c1ccc(cc1O)Cl MB24909 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,2,0,0,0,0|1,0,1]=4 846 B11R1.166 Cc1cc(cnc1C(=O)C)Cl AB75124 [0,2,0,0,0,0|1,0,1]=4 847 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [0,2,0,0,0,0|1,0,1]=4 848 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [0,2,0,0,0,0|1,0,1]=4 851 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [0,2,0,0,0,0|1,0,1]=4 853 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,2,0,0,0,0|1,1,0]=4 855 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] MB02640 [0,2,0,0,0,0|1,1,0]=4 856 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,2,0,0,0,0|1,1,0]=4 858 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] AB00840 [0,2,0,0,0,0|1,1,0]=4 859 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,2,0,0,0,0|1,1,0]=4 860 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.277 COc1cc(c(cc1O)Br)Cl MB19828 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.279 CNc1ccc(c(c1)O)C=O MB38816 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.279 COc1cc(c(nc1)C=O)O AB84580 [0,2,0,0,0,0|1,0,1]=4 865 B11R1.279 CSc1ccc(c(c1)O)C=O MB32919 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.279 c1c(cnc(c1O)C=O)C=O AB84585 [0,2,0,0,0,0|1,0,1]=4 867 B11R1.279 c1c(cnc(c1O)C=O)CCl AB84592 [0,2,0,0,0,0|0,0,1]=3 868 B11R1.279 c1c(ncc(c1O)C=O)CCl AB84446 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.279 c1cc(c(cc1C#N)O)C=O MB06108 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.279 c1cc(c(nc1CCl)O)C=O AB84549 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.167 B(c1cc(ccc1Cl)Cl)(O)O AB10326 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.167 B(c1cc(ccc1F)Cl)(O)O AB22317 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.167 B(c1cc(ccc1O)Cl)(O)O AB26500 [0,2,0,0,0,0|1,0,1]=4 876 B11R1.167 B(c1cc(cnc1Cl)Cl)(O)O AB25944 [0,2,0,0,0,0|1,0,1]=4 877 B11R1.167 c1c(c[nH]c(=O)c1[N+](=O)[O-])Br PB29138 [0,2,0,0,0,0|0,1,1]=4 878 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [0,2,0,0,0,0|1,0,1]=4 879 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [0,2,0,0,0,0|1,0,1]=4 880 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [0,2,0,0,0,0|1,0,1]=4 881 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,2,0,0,0,0|0,0,2]=4 882 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [0,2,0,0,0,0|2,0,0]=4 883 B11R2.36 c1c(cnc2c1OCO2)Cl AB73686 [0,1,0,1,0,0|0,0,2]=4 884 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [0,1,0,1,0,0|2,0,0]=4 885 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [0,1,0,1,0,0|2,0,0]=4 886 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [0,1,0,1,0,0|2,0,0]=4 887 B11R2.36 c1cc2conc2cc1Cl MB19396 [0,1,0,1,0,0|2,0,0]=4 888 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [1,0,0,0,1,0|0,1,1]=4 889 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [1,0,0,0,1,0|2,0,0]=4 890 B7R1.2 c1c(csc1Cl)N PB15475 [1,0,0,0,1,0|2,0,0]=4