0 B9R1.15 C#Cc1cccnc1Br AB69072 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 C#Cc1cccnc1Cl AB69069 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 C#Cc1cccnc1N AB66567 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.15 C#Cc1cccnc1O AB69073 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.15 C1=NC(C(=O)N=C1)C#N AB60492 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.15 CCc1c(cccn1)Br AB68544 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.15 CCc1c(cccn1)O MB01433 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 CCc1c(cncn1)F PB21906 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CCc1cncnc1Cl AB62552 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 CNc1c(nccn1)Cl MB13992 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.15 CNc1cccnc1Br AB39252 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.15 CNc1cncnc1Cl AB65907 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 COc1c(cccn1)Br PB20024 [0,0,0,0,0,0|2,1,0]=3 13 B9R1.15 COc1c(cccn1)Cl AB13603 [0,0,0,0,0,0|2,1,0]=3 14 B9R1.15 COc1c(cccn1)F AB13397 [0,0,0,0,0,0|2,1,0]=3 15 B9R1.15 COc1c(cccn1)I AB13400 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.15 COc1c(cccn1)N AB07386 [0,0,0,0,0,0|2,1,0]=3 17 B9R1.15 COc1c(cccn1)O AB06074 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.15 COc1c(nccn1)Cl MB02506 [0,0,0,0,0,0|1,1,0]=2 19 B9R1.15 COc1c(nccn1)N AB22450 [0,0,0,0,0,0|1,1,0]=2 20 B9R1.15 COc1cccnc1Br PB29151 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.15 COc1cccnc1Cl AB14749 [0,0,0,0,0,0|2,1,0]=3 22 B9R1.15 COc1cccnc1I AB05182 [0,0,0,0,0,0|2,1,0]=3 23 B9R1.15 COc1cccnc1N AB40614 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.15 COc1cccnc1O AB43293 [0,0,0,0,0,0|2,1,0]=3 25 B9R1.15 CSc1c(cccn1)O MB01598 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.15 CSc1cccnc1Br MB13966 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.15 CSc1ccncc1O MB25632 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.15 CSc1cnccc1O MB31499 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.15 Cc1c(cccn1)C#C AB66573 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.15 Cc1c(cccn1)C#N PB23449 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.15 Cc1c(cccn1)CN AB14093 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.15 Cc1c(cccn1)CO AB01512 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.15 Cc1c(cccn1)OC AB03569 [0,0,0,0,0,0|1,1,0]=2 38 B9R1.15 Cc1c(nccn1)C#N AB48635 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.15 Cc1c(nccn1)C=O PB13166 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.15 Cc1c(nccn1)CCl PB22746 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.15 Cc1c(nccn1)CN PB38635 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.15 Cc1c(nccn1)CO PB22269 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.15 Cc1cccnc1C=O PB14292 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.15 Cc1cccnc1CCl PB32645 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.15 Cc1cccnc1CN AB20671 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.15 Cc1cccnc1CO AB12590 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.15 Cc1cccnc1OC AB31414 [0,0,0,0,0,0|1,1,0]=2 48 B9R1.15 Cc1ccnnc1C#N PB21475 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.15 Cc1ccnnc1CN PB36913 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.15 c1cc(c(nc1)Br)C#N AB05139 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.15 c1cc(c(nc1)C#N)Br PB24769 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.15 c1cc(c(nc1)C#N)F PB17393 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.15 c1cc(c(nc1)C#N)N PB18562 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.15 c1cc(c(nc1)Cl)C#N AB01170 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.15 c1cc(c(nc1)N)C#N AB03606 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.15 c1cnc(c(n1)C#N)Cl PB12144 [0,0,0,0,0,0|3,0,0]=3 95 B9R1.15 c1cnc(c(n1)C#N)N AB10707 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [0,0,0,0,0,0|3,0,0]=3 100 B9R1.15 c1cnc(c(n1)CN)N AB53146 [0,0,0,0,0,0|3,0,0]=3 101 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.15 c1cnc(c(n1)NN)Cl PB16012 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.15 c1nc(c(nn1)CN)Cl AB85242 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.15 c1nc(c(nn1)Cl)C=O AB72441 [0,0,0,0,0,0|4,0,0]=4 105 B8R1.2 C#Cc1ccccn1 PB17077 [1,0,0,0,0,0|2,0,1]=4 106 B8R1.2 C#Cc1cccnc1 PB29186 [1,0,0,0,0,0|2,0,1]=4 107 B8R1.2 C#Cc1cnccn1 PB18058 [1,0,0,0,0,0|1,0,1]=3 108 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.2 CNc1ccncn1 AB60623 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 CNc1cncnc1 AB60774 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.2 CNc1ncccn1 AB05135 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,0|1,1,0]=3 113 B8R1.2 COc1cccnn1 AB05130 [1,0,0,0,0,0|2,1,0]=4 114 B8R1.2 COc1ccnnc1 AB44150 [1,0,0,0,0,0|2,1,0]=4 115 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.2 c1cc(cnc1)CCl AB01984 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 c1cc(cnc1)CN AB00752 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.2 c1cc(cnc1)NN AB42924 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 c1cc(cnc1)NN PB18886 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.2 c1ccnc(c1)CBr MB02148 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.2 c1ccnc(c1)CCl AB22495 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.2 c1ccnc(c1)CN AB00731 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.2 c1cnc(cn1)C#N AB02102 [1,0,0,0,0,0|2,0,0]=3 125 B8R1.2 c1cnc(cn1)C=O PB19982 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.2 c1cnc(cn1)CCl PB20483 [1,0,0,0,0,0|2,0,0]=3 127 B8R1.2 c1cnc(cn1)CN PB14180 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.2 c1cnc(cn1)CO PB21779 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.2 c1cnc(cn1)NN PB12798 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [1,0,0,0,0,0|1,1,1]=4 131 B8R1.5 Cc1c(cccn1)Br PB27472 [1,0,0,0,0,0|2,0,0]=3 132 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.5 Cc1c(cccn1)F AB48604 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.5 Cc1c(cccn1)N PB33695 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.5 Cc1c(cccn1)O PB18442 [1,0,0,0,0,0|1,1,0]=3 136 B8R1.5 Cc1c(ccnn1)N MB11382 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.5 Cc1c(cncn1)Br PB26552 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.5 Cc1c(cncn1)N PB26435 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.5 Cc1c(nccn1)Br PB10597 [1,0,0,0,0,0|1,0,0]=2 140 B8R1.5 Cc1c(nccn1)Cl PB18413 [1,0,0,0,0,0|1,0,0]=2 141 B8R1.5 Cc1c(nccn1)I PB26409 [1,0,0,0,0,0|1,0,0]=2 142 B8R1.5 Cc1c(nccn1)N PB32667 [1,0,0,0,0,0|1,0,0]=2 143 B8R1.5 Cc1c(nccn1)O PB12942 [1,0,0,0,0,0|0,1,0]=2 144 B8R1.5 Cc1cccnc1Br AB05448 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.5 Cc1cccnc1Cl AB05179 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.5 Cc1cccnc1N AB17908 [1,0,0,0,0,0|2,0,0]=3 147 B8R1.5 Cc1cccnc1O AB03538 [1,0,0,0,0,0|1,1,0]=3 148 B8R1.5 Cc1ccnnc1Cl PB34304 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.5 Cc1ccnnc1N MB06298 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.5 Cc1cncnc1Cl AB44072 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.5 Cc1cncnc1N AB54983 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.5 Cc1cncnc1O AB09558 [1,0,0,0,0,0|2,1,0]=4 153 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,0,0,0,0,0|3,0,0]=4 159 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,0,0,0,0,0|2,1,0]=4 160 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,0,0,0,0,0|2,1,0]=4 166 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,0,0,0,0,0|2,1,0]=4 172 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,0,0,0,0,0|2,1,0]=4 177 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,0,0,0,0,0|2,1,0]=4 178 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,0,0,0,0,0|2,1,0]=4 180 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,0,0,0,0,0|2,1,0]=4 181 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,0,0,0,0,0|2,1,0]=4 182 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,0,0,0,0,0|2,1,0]=4 183 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [1,0,0,0,0,0|2,0,0]=3 184 B8R1.5 c1cnc(c(n1)N)Br MB08183 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.5 c1cnc(c(n1)N)N PB10452 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.2 CCc1cccc(c1C)O MB24030 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [0,1,0,0,0,0|2,1,0]=4 189 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [0,1,0,0,0,0|2,1,0]=4 190 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [0,1,0,0,0,0|2,1,0]=4 191 B10R1.2 COc1c(c(ccn1)I)F AB71332 [0,1,0,0,0,0|2,1,0]=4 192 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [0,1,0,0,0,0|2,1,0]=4 193 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [0,1,0,0,0,0|2,1,0]=4 194 B10R1.2 COc1c(c(ccn1)N)F AB70892 [0,1,0,0,0,0|2,1,0]=4 195 B10R1.2 COc1c(c(ccn1)N)N AB56399 [0,1,0,0,0,0|2,1,0]=4 196 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [0,1,0,0,0,0|2,1,0]=4 197 B10R1.2 CSc1cccc(c1Br)O MB26789 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.2 CSc1cccc(c1Cl)O MB33312 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.2 CSc1cccc(c1F)O MB25404 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.2 CSc1cccc(c1I)O MB31760 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.2 CSc1cccc(c1N)O MB32351 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.2 CSc1cccc(c1O)Cl MB27718 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.2 CSc1cccc(c1O)F MB25614 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.2 CSc1cccc(c1O)I MB28360 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.2 CSc1cccc(c1O)N MB28757 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.2 Cc1c(cccc1O)NC MB37053 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,1,0,0,0,0|2,1,0]=4 208 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.2 Cc1c(ccnc1C#N)Br AB40724 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.2 Cc1c(ccnc1C#N)Cl AB40716 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.2 Cc1c(ccnc1C=O)Br AB40731 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.2 Cc1c(ccnc1C=O)Cl AB40720 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.2 Cc1c(ccnc1C=O)F AB82923 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.2 Cc1c(ccnc1CCl)Cl AB75387 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.2 Cc1c(ccnc1CCl)F AB82925 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.2 Cc1c(ccnc1CN)F AB82928 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.2 Cc1c(ccnc1CO)Br AB53756 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.2 Cc1cccc(c1O)SC MB31066 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [0,1,0,0,0,0|2,1,0]=4 222 B10R1.2 Cc1ccnc(c1C)C=O AB66597 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.2 Cc1ccnc(c1C)CCl AB49318 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.2 Cc1ccnc(c1C)CN AB76790 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.4 CCOc1c(cccn1)Br AB05207 [0,1,0,0,0,0|2,1,0]=4 226 B10R1.4 CCOc1c(cccn1)I AB05213 [0,1,0,0,0,0|2,1,0]=4 227 B10R1.4 CNCc1c(cccn1)F PB12566 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.4 CNCc1cccnc1Cl AB53845 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.4 Cc1cccnc1CCN AB31462 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.4 c1cnc(c(n1)CC#N)Cl PB11137 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.20 COc1c(cccn1)C#C AB69070 [0,1,0,0,0,0|1,1,1]=4 239 B10R1.20 COc1c(cccn1)C#N PB30871 [0,1,0,0,0,0|1,1,1]=4 240 B10R1.20 COc1c(cccn1)C=O PB26137 [0,1,0,0,0,0|1,1,1]=4 241 B10R1.20 COc1c(cccn1)CCl AB54482 [0,1,0,0,0,0|1,1,0]=3 242 B10R1.20 COc1c(cccn1)CN PB10680 [0,1,0,0,0,0|1,1,0]=3 243 B10R1.20 COc1c(cccn1)CN PB15194 [0,1,0,0,0,0|1,1,0]=3 244 B10R1.20 COc1c(cccn1)CO PB20446 [0,1,0,0,0,0|1,1,0]=3 245 B10R1.20 COc1c(nccn1)C#N AB22503 [0,1,0,0,0,0|0,1,1]=3 246 B10R1.20 COc1c(nccn1)C=O AB55611 [0,1,0,0,0,0|0,1,1]=3 247 B10R1.20 COc1c(nncn1)CN PB39100 [0,1,0,0,0,0|1,1,0]=3 248 B10R1.20 COc1cccnc1C#N AB40617 [0,1,0,0,0,0|1,1,1]=4 249 B10R1.20 COc1cccnc1C=O AB22246 [0,1,0,0,0,0|1,1,1]=4 250 B10R1.20 COc1cccnc1CCl AB60052 [0,1,0,0,0,0|1,1,0]=3 251 B10R1.20 COc1cccnc1CN AB40619 [0,1,0,0,0,0|1,1,0]=3 252 B10R1.20 COc1cccnc1CO MB05449 [0,1,0,0,0,0|1,1,0]=3 253 B10R1.20 COc1cccnc1OC AB13430 [0,1,0,0,0,0|1,1,0]=3 254 B10R1.20 CSc1c(cccn1)C=O MB07044 [0,1,0,0,0,0|1,0,1]=3 255 B10R1.20 CSc1c(cccn1)CO MB07043 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.20 c1cc(c(nc1)C#N)CBr MB06806 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.20 c1cc(c(nc1)C#N)CCl AB60071 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.20 c1cc(c(nc1)C#N)CN AB67388 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.20 c1cc(c(nc1)C#N)CO AB31401 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.20 c1cc(c(nc1)CCl)C#N AB60058 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.20 c1cc(c(nc1)CCl)C=O AB69680 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.20 c1cc(c(nc1)CCl)CCl AB60050 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.20 c1cc(c(nc1)CN)C#N AB67702 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.25 CCc1ccc(cc1C)O MB23913 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.25 CCc1ccc(nc1N)C AB03677 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.25 CNc1c(cc(cn1)Br)N AB40964 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.25 CNc1c(cc(cn1)Cl)N AB41038 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.25 COc1c(cc(cn1)Br)Cl AB20950 [0,1,0,0,0,0|2,1,0]=4 273 B10R1.25 COc1c(cc(cn1)Br)F AB17621 [0,1,0,0,0,0|2,1,0]=4 274 B10R1.25 COc1c(cc(cn1)Br)I AB21850 [0,1,0,0,0,0|2,1,0]=4 275 B10R1.25 COc1c(cc(cn1)Br)N PB15873 [0,1,0,0,0,0|2,1,0]=4 276 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [0,1,0,0,0,0|2,1,0]=4 277 B10R1.25 COc1c(cc(cn1)Cl)Br AB43095 [0,1,0,0,0,0|2,1,0]=4 278 B10R1.25 COc1c(cc(cn1)Cl)F AB41066 [0,1,0,0,0,0|2,1,0]=4 279 B10R1.25 COc1c(cc(cn1)Cl)N AB41036 [0,1,0,0,0,0|2,1,0]=4 280 B10R1.25 COc1c(cc(cn1)F)N AB75363 [0,1,0,0,0,0|2,1,0]=4 281 B10R1.25 COc1c(cc(cn1)N)Cl AB70284 [0,1,0,0,0,0|2,1,0]=4 282 B10R1.25 COc1c(cc(cn1)N)F AB40818 [0,1,0,0,0,0|2,1,0]=4 283 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [0,1,0,0,0,0|2,1,0]=4 284 B10R1.25 COc1c(cc(cn1)O)F AB70291 [0,1,0,0,0,0|2,1,0]=4 285 B10R1.25 COc1ccc(nc1Br)N AB26774 [0,1,0,0,0,0|2,1,0]=4 286 B10R1.25 COc1ccc(nc1Cl)N AB40624 [0,1,0,0,0,0|2,1,0]=4 287 B10R1.25 CSc1c(cc(cn1)Br)N AB40978 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.25 CSc1c(cc(cn1)Cl)N AB41053 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.25 CSc1ccc(cc1Br)O MB25524 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.25 CSc1ccc(cc1F)O MB25544 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.25 CSc1ccc(cc1N)O MB34593 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.25 CSc1ccc(cc1O)Br MB35434 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.25 CSc1ccc(cc1O)F MB25440 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.25 CSc1ccc(cc1O)I MB29501 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.25 CSc1ccc(cc1O)N MB36502 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.25 Cc1c(ccc(n1)Br)C=O AB66856 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.25 Cc1c(ccc(n1)Br)CCl AB69339 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.25 Cc1c(ccc(n1)Br)CN AB69340 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.25 Cc1c(ccc(n1)Cl)C#N AB30550 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.25 Cc1c(ccc(n1)Cl)C=O AB32133 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.25 Cc1c(ccc(n1)Cl)CN AB74568 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [0,1,0,0,0,0|1,1,0]=3 304 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [0,1,0,0,0,0|1,1,0]=3 305 B10R1.25 Cc1c(ccc(n1)O)C#N AB55004 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [0,1,0,0,0,0|1,1,0]=3 307 B10R1.25 Cc1c(ncc(n1)Br)C#N AB72506 [0,1,0,0,0,0|2,0,0]=3 308 B10R1.25 Cc1c(ncc(n1)Br)C=O AB85714 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.25 Cc1c(ncc(n1)Br)OC AB85717 [0,1,0,0,0,0|0,1,0]=2 310 B10R1.25 Cc1c(ncc(n1)Cl)C#N AB72505 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.25 Cc1c(ncc(n1)Cl)C=O AB85687 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.25 Cc1c(ncc(n1)Cl)CCl AB76483 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.25 Cc1c(ncc(n1)Cl)CN AB85686 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.25 Cc1cc(c(nc1)C#N)C AB22974 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [0,1,0,0,0,0|2,1,0]=4 320 B10R1.25 Cc1cc(ccc1NC)O MB05083 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.25 Cc1cc(ccc1OC)O MB07842 [0,1,0,0,0,0|2,1,0]=4 322 B10R1.25 Cc1cc(cnc1C#N)Br AB65088 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.25 Cc1cc(cnc1C#N)Cl AB71756 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.25 Cc1cc(cnc1C#N)N AB41218 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.25 Cc1cc(cnc1CCl)Cl AB75121 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.25 Cc1cc(cnc1CCl)F AB74796 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.25 Cc1cc(cnc1CN)Br AB41237 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.25 Cc1cc(cnc1CN)Cl AB75120 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.25 Cc1cc(cnc1CN)F AB41242 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [0,1,0,0,0,0|1,1,0]=3 334 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [0,1,0,0,0,0|1,1,0]=3 335 B10R1.25 Cc1cc(cnc1OC)N AB20996 [0,1,0,0,0,0|1,1,0]=3 336 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [0,1,0,0,0,0|2,1,0]=4 338 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.25 Cc1cnc(c(n1)C)CN AB73102 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.25 Cc1cnc(c(n1)Cl)C#N AB60457 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.25 c1c(nc(c(n1)C#N)Cl)Cl PB31130 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.25 c1c(nc(c(n1)C#N)Cl)N AB60469 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.25 c1c(nc(c(n1)C#N)N)Cl AB60474 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl PB10747 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.25 c1c(nc(c(n1)C=O)N)Br AB72512 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.25 c1c(nc(c(n1)C=O)N)Cl AB72515 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.25 c1c(nc(c(n1)CCl)N)Cl AB85693 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.30 CCc1cc(ccc1C)O MB23722 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.30 CNc1cc(cnc1Cl)Br AB40833 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.30 CNc1cc(cnc1Cl)Cl AB41028 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.30 COc1c(ccc(n1)Br)F AB74998 [0,1,0,0,0,0|2,1,0]=4 353 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [0,1,0,0,0,0|2,1,0]=4 354 B10R1.30 COc1c(ccc(n1)I)Br AB73529 [0,1,0,0,0,0|2,1,0]=4 355 B10R1.30 COc1c(ccc(n1)N)F AB76983 [0,1,0,0,0,0|2,1,0]=4 356 B10R1.30 COc1c(ncc(n1)Br)Br AB54782 [0,1,0,0,0,0|1,1,0]=3 357 B10R1.30 COc1c(ncc(n1)Br)Cl AB72501 [0,1,0,0,0,0|1,1,0]=3 358 B10R1.30 COc1c(ncc(n1)Br)N AB44806 [0,1,0,0,0,0|1,1,0]=3 359 B10R1.30 COc1c(ncc(n1)Cl)N AB64255 [0,1,0,0,0,0|1,1,0]=3 360 B10R1.30 COc1c(nnc(n1)Cl)Cl AB72424 [0,1,0,0,0,0|2,1,0]=4 361 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [0,1,0,0,0,0|2,1,0]=4 362 B10R1.30 COc1cc(cnc1Cl)F AB74801 [0,1,0,0,0,0|2,1,0]=4 363 B10R1.30 CSc1c(cnc(n1)Cl)Br PB27822 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.30 CSc1cc(ccc1Br)O MB38334 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.30 CSc1cc(ccc1F)O MB25679 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.30 CSc1cc(ccc1I)O MB30001 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.30 CSc1cc(ccc1N)O MB25516 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.30 CSc1cc(ccc1O)Br MB28713 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.30 CSc1cc(ccc1O)F MB35476 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.30 CSc1cc(ccc1O)N MB29519 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.30 Cc1c(cc(cn1)Cl)C=O AB62434 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.30 Cc1c(cc(cn1)Cl)CN AB62431 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.30 Cc1ccc(cc1NC)O MB36159 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,1,0,0,0,0|2,1,0]=4 381 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,1,0,0,0,0|2,1,0]=4 382 B10R1.30 Cc1ccc(nc1C#N)C AB25377 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.30 Cc1ccc(nc1C#N)Cl AB71445 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.30 Cc1ccc(nc1C=O)C AB75403 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.30 Cc1ccc(nc1C=O)Cl AB75110 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.30 Cc1ccc(nc1C=O)F AB75170 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.30 Cc1ccc(nc1CCl)C AB75390 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.30 Cc1ccc(nc1CCl)Cl AB75115 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.30 Cc1ccc(nc1CCl)F AB82887 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.30 Cc1ccc(nc1CN)C AB65466 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.30 Cc1ccc(nc1CN)Cl AB75112 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.30 Cc1ccc(nc1CN)F AB82890 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.30 Cc1cnc(c(n1)CCl)C AB76280 [0,1,0,0,0,0|2,0,0]=3 395 B10R1.30 Cc1cnc(c(n1)CN)C AB77043 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.30 c1c(nc(c(n1)Br)C#N)Br PB27296 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.30 c1c(nc(c(n1)Cl)C=O)Cl AB85727 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.30 c1c(nc(c(n1)N)C#N)Cl AB60487 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.30 c1c(nc(c(n1)N)C=O)Br AB69711 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.30 c1c(nc(c(n1)N)C=O)Cl AB60422 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.30 c1c(nc(c(n1)N)CCl)Cl AB85695 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.61 B(c1c(cccn1)C)(O)O AB06942 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.61 B(c1cccnc1C)(O)O AB25945 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] PB15768 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.61 c1cnc(c(n1)[N+](=O)[O-])Cl AB60519 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.245 CCc1c(cccc1O)C MB23554 [0,1,0,0,0,0|3,0,0]=4 436 B10R1.245 CSc1c(cccc1Br)O MB32344 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.245 CSc1c(cccc1Cl)O MB25403 [0,1,0,0,0,0|3,0,0]=4 438 B10R1.245 CSc1c(cccc1I)O MB36697 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.245 CSc1c(cccc1O)N MB26572 [0,1,0,0,0,0|3,0,0]=4 440 B10R1.245 Cc1c(c(ccn1)Br)C=O AB66858 [0,1,0,0,0,0|3,0,0]=4 441 B10R1.245 Cc1c(c(ccn1)Cl)C=O AB66851 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.245 Cc1c(c(ccn1)Cl)CCl AB83333 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.245 Cc1c(c(ccn1)Cl)CN AB83336 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [0,1,0,0,0,0|1,1,0]=3 445 B10R1.245 Cc1c(c(ccn1)F)C=O AB68033 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.245 Cc1c(c(ccn1)F)CCl AB83019 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.245 Cc1c(c(ccn1)F)CN AB83020 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.245 Cc1c(c(ccn1)N)C=O AB68110 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.245 Cc1cccc(c1OC)O MB33579 [0,1,0,0,0,0|2,1,0]=4 451 B10R1.245 Cc1cccc(c1SC)O MB08534 [0,1,0,0,0,0|2,0,0]=3 452 B10R1.245 Cc1ccnc(c1C=O)C AB63129 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.245 Cc1ccnc(c1CCl)C AB75399 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.245 Cc1ccnc(c1CN)C AB75357 [0,1,0,0,0,0|3,0,0]=4 455 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [0,0,0,1,0,0|3,0,0]=4 456 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [0,0,0,1,0,0|1,0,2]=4 457 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [0,0,0,1,0,0|3,0,0]=4 458 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,0,0,1,0,0|2,0,0]=3 459 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [0,0,0,1,0,0|2,0,1]=4 460 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [0,0,0,1,0,0|1,0,1]=3 461 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [0,0,0,1,0,0|1,0,0]=2 462 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [0,0,0,1,0,0|2,0,0]=3 463 B10R2.7 c1nc2=NCC=c2nn1 AB72444 [0,0,0,1,0,0|2,0,1]=4 464 B8R1.11 CC1=C(N=CC1)C=O AB01496 [0,0,0,0,1,0|2,0,1]=4 465 B8R1.11 CC1=NC=NC1CCl AB76255 [0,0,0,0,1,0|2,0,1]=4 466 B8R1.11 CCn1c(ccn1)N PB15601 [0,0,0,0,1,0|3,0,0]=4 467 B8R1.11 Cc1c(ccs1)C#N AB71665 [0,0,0,0,1,0|3,0,0]=4 468 B8R1.11 Cc1c(ccs1)C=O AB53893 [0,0,0,0,1,0|3,0,0]=4 469 B8R1.11 Cc1c(ccs1)CCl AB76281 [0,0,0,0,1,0|3,0,0]=4 470 B8R1.11 Cc1c(con1)CN MB06775 [0,0,0,0,1,0|3,0,0]=4 471 B8R1.11 Cc1c(nco1)C=O AB62633 [0,0,0,0,1,0|3,0,0]=4 472 B8R1.11 Cc1c(nco1)CCl AB71571 [0,0,0,0,1,0|3,0,0]=4 473 B8R1.11 Cc1c(nco1)CN AB68727 [0,0,0,0,1,0|3,0,0]=4 474 B8R1.11 Cc1c(ncs1)C#N AB76587 [0,0,0,0,1,0|3,0,0]=4 475 B8R1.11 Cc1c(ncs1)C=O AB62627 [0,0,0,0,1,0|3,0,0]=4 476 B8R1.11 Cc1c(ncs1)CCl AB76286 [0,0,0,0,1,0|3,0,0]=4 477 B8R1.11 Cc1c(ncs1)CO AB44114 [0,0,0,0,1,0|3,0,0]=4 478 B8R1.11 Cc1c(non1)CN AB28419 [0,0,0,0,1,0|3,0,0]=4 479 B8R1.11 Cc1c(ocn1)CCl MB08890 [0,0,0,0,1,0|3,0,0]=4 480 B8R1.11 Cc1c(ocn1)CO MB03682 [0,0,0,0,1,0|3,0,0]=4 481 B8R1.11 Cc1c(scn1)C=O CB10986 [0,0,0,0,1,0|3,0,0]=4 482 B8R1.11 Cc1c(scn1)CCl AB43190 [0,0,0,0,1,0|3,0,0]=4 483 B8R1.11 Cc1c(scn1)CN AB43198 [0,0,0,0,1,0|3,0,0]=4 484 B8R1.11 Cn1c(ccn1)C#N PB25151 [0,0,0,0,1,0|3,0,0]=4 485 B8R1.11 Cn1c(ccn1)C=O PB21218 [0,0,0,0,1,0|3,0,0]=4 486 B8R1.11 Cn1c(ccn1)CN PB24806 [0,0,0,0,1,0|3,0,0]=4 487 B8R1.11 Cn1c(ccn1)CO PB14601 [0,0,0,0,1,0|3,0,0]=4 488 B8R1.11 Cn1c(ncn1)CCl MB07932 [0,0,0,0,1,0|3,0,0]=4 489 B8R1.11 Cn1c(ncn1)CN AB25054 [0,0,0,0,1,0|3,0,0]=4 490 B8R1.11 Cn1c(ncn1)CO AB27921 [0,0,0,0,1,0|3,0,0]=4 491 B8R1.11 Cn1ccnc1C#N PB34281 [0,0,0,0,1,0|3,0,0]=4 492 B8R1.11 Cn1ccnc1C=O PB12922 [0,0,0,0,1,0|3,0,0]=4 493 B8R1.11 Cn1ccnc1CN MB07317 [0,0,0,0,1,0|3,0,0]=4 494 B8R1.11 Cn1ccnc1CN PB30844 [0,0,0,0,1,0|3,0,0]=4 495 B8R1.11 Cn1cnnc1SC AB20821 [0,0,0,0,1,0|2,0,0]=3 496 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|2,0,0]=4 497 B7R1.3 Cc1ccncn1 PB17038 [2,0,0,0,0,0|2,0,0]=4 498 B7R1.3 Cc1ccnnc1 PB24546 [2,0,0,0,0,0|2,0,0]=4 499 B7R1.3 Cc1nccnn1 AB55984 [2,0,0,0,0,0|1,0,0]=3 500 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|2,0,0]=4 501 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|2,0,0]=4 502 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|1,1,0]=4 503 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|2,0,0]=4 504 B7R1.3 c1cnc(cn1)Br MB06072 [2,0,0,0,0,0|1,0,0]=3 505 B7R1.3 c1cnc(cn1)I AB08841 [2,0,0,0,0,0|1,0,0]=3 506 B7R1.3 c1cnc(cn1)N PB30528 [2,0,0,0,0,0|1,0,0]=3 507 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|0,1,0]=3 508 B7R1.3 c1cnnc(n1)Cl AB72415 [2,0,0,0,0,0|2,0,0]=4 509 B7R1.3 c1cnnc(n1)N AB00769 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.1 C#Cc1cnc(cn1)Br AB63400 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.1 C#Cc1cnc(cn1)Cl AB69152 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.1 C#Cc1cnc(cn1)F AB85723 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.1 CCc1ccc(cn1)N AB63590 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.1 CCc1ccc(cn1)O MB03842 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.1 CCc1cnc(cn1)Br AB64001 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.1 CCc1cnc(cn1)Cl AB73111 [1,1,0,0,0,0|1,0,0]=3 518 B9R1.1 CCc1cnc(cn1)N AB60527 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 CNc1ccc(cn1)O AB69733 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.1 CNc1cnc(cn1)Br MB08140 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.1 COc1ccc(cn1)Br AB08771 [1,1,0,0,0,0|1,1,0]=4 526 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,1,0,0,0,0|1,1,0]=4 527 B9R1.1 COc1ccc(cn1)F AB13611 [1,1,0,0,0,0|1,1,0]=4 528 B9R1.1 COc1ccc(cn1)N PB27370 [1,1,0,0,0,0|1,1,0]=4 529 B9R1.1 COc1ccc(cn1)O CB10969 [1,1,0,0,0,0|1,1,0]=4 530 B9R1.1 COc1ccc(nc1)Br PB22062 [1,1,0,0,0,0|1,1,0]=4 531 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,1,0,0,0,0|1,1,0]=4 532 B9R1.1 COc1ccc(nc1)F AB66773 [1,1,0,0,0,0|1,1,0]=4 533 B9R1.1 COc1ccc(nc1)I AB11726 [1,1,0,0,0,0|1,1,0]=4 534 B9R1.1 COc1ccc(nc1)N PB14487 [1,1,0,0,0,0|1,1,0]=4 535 B9R1.1 COc1cnc(cn1)Br PB10528 [1,1,0,0,0,0|0,1,0]=3 536 B9R1.1 COc1cnc(cn1)Cl PB22219 [1,1,0,0,0,0|0,1,0]=3 537 B9R1.1 COc1cnc(cn1)I AB75719 [1,1,0,0,0,0|0,1,0]=3 538 B9R1.1 COc1cnc(cn1)N PB26534 [1,1,0,0,0,0|0,1,0]=3 539 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.1 CSc1ccc(cn1)O MB25590 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,1,0,0,0,0|1,0,0]=3 542 B9R1.1 CSc1cnc(cn1)Br MB07628 [1,1,0,0,0,0|0,0,0]=2 543 B9R1.1 CSc1cnc(cn1)N AB43836 [1,1,0,0,0,0|0,0,0]=2 544 B9R1.1 CSc1ncc(cn1)Br AB04480 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.1 CSc1ncc(cn1)Cl AB06339 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.1 CSc1ncc(cn1)N AB58989 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.1 CSc1ncc(cn1)O AB04983 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,1,0,0,0,0|1,1,0]=4 549 B9R1.1 Cc1cnc(cn1)C#N AB20698 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.1 Cc1cnc(cn1)C=O PB23818 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.1 Cc1cnc(cn1)CCl PB10823 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.1 Cc1cnc(cn1)CN PB33936 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.1 c1c(ncc(n1)Br)C#N PB17693 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.1 c1c(ncc(n1)Cl)C#N PB18987 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.1 c1c(ncc(n1)Cl)CCl AB60493 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.1 c1c(ncc(n1)Cl)NN PB28798 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.1 c1c(ncc(n1)I)C#N AB70240 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.1 c1c(ncc(n1)N)C#N PB22136 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.2 C#Cc1cncc(n1)Cl AB69154 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.2 CCc1cccc(n1)Br MB10338 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.2 CNc1cc(cnc1)O MB32689 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.2 CNc1cccc(n1)Br AB50070 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.2 CNc1cncc(n1)Cl MB07975 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.2 COc1cc(ccn1)Br AB44876 [1,1,0,0,0,0|1,1,0]=4 577 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|1,1,0]=4 578 B9R1.2 COc1cc(ccn1)F AB53299 [1,1,0,0,0,0|1,1,0]=4 579 B9R1.2 COc1cc(ccn1)I MB06098 [1,1,0,0,0,0|1,1,0]=4 580 B9R1.2 COc1cc(ccn1)N PB20942 [1,1,0,0,0,0|1,1,0]=4 581 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|1,1,0]=4 582 B9R1.2 COc1cc(cnc1)Br PB24634 [1,1,0,0,0,0|1,1,0]=4 583 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,1,0,0,0,0|1,1,0]=4 584 B9R1.2 COc1cc(cnc1)F AB66777 [1,1,0,0,0,0|1,1,0]=4 585 B9R1.2 COc1cc(cnc1)I AB43793 [1,1,0,0,0,0|1,1,0]=4 586 B9R1.2 COc1cc(cnc1)N PB12653 [1,1,0,0,0,0|1,1,0]=4 587 B9R1.2 COc1cc(cnc1)N PB25488 [1,1,0,0,0,0|1,1,0]=4 588 B9R1.2 COc1cc(cnc1)O AB29711 [1,1,0,0,0,0|1,1,0]=4 589 B9R1.2 COc1cccc(n1)Cl AB00671 [1,1,0,0,0,0|1,1,0]=4 590 B9R1.2 COc1cccc(n1)F AB55818 [1,1,0,0,0,0|1,1,0]=4 591 B9R1.2 COc1cccc(n1)I AB31101 [1,1,0,0,0,0|1,1,0]=4 592 B9R1.2 COc1cccc(n1)N AB21183 [1,1,0,0,0,0|1,1,0]=4 593 B9R1.2 COc1cccc(n1)O AB31854 [1,1,0,0,0,0|1,1,0]=4 594 B9R1.2 COc1cncc(n1)Cl PB29367 [1,1,0,0,0,0|0,1,0]=3 595 B9R1.2 COc1cncc(n1)N AB54770 [1,1,0,0,0,0|0,1,0]=3 596 B9R1.2 COc1cnnc(n1)Cl AB71503 [1,1,0,0,0,0|1,1,0]=4 597 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.2 CSc1cc(cnc1)O MB28894 [1,1,0,0,0,0|1,0,0]=3 602 B9R1.2 CSc1cc(ncn1)Br MB14195 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.2 CSc1cccc(n1)Br MB07302 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.2 CSc1ccnc(n1)Br MB14073 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.2 CSc1cnnc(n1)Cl AB71510 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.2 CSc1nccc(n1)Br AB54070 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.2 CSc1nccc(n1)Cl PB10012 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.2 CSc1nccc(n1)I AB08843 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,1,0,0,0,0|1,1,0]=4 610 B9R1.2 Cc1cccc(n1)NC AB60602 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.2 Cc1cncc(n1)C=O AB62637 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.2 Cc1cncc(n1)CCl AB60498 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.2 Cc1cncc(n1)CN AB72296 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.2 c1c(nc(cn1)Cl)C#N PB26471 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.2 c1c(nc(cn1)Cl)C=O PB16295 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.2 c1c(nc(cn1)N)C#N PB28163 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.6 B(c1cnccn1)(O)O AB48451 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.6 CC(C)c1ccccn1 PB21659 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.6 CC(c1ccccn1)N AB21604 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.6 CC(c1cccnc1)N AB09764 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.6 CC(c1cnccn1)N PB14922 [1,1,0,0,0,0|1,0,0]=3 630 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.6 c1cnc(cn1)C(=N)N AB02172 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.8 CNCc1ccccn1 AB10674 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.8 CNCc1cccnc1 AB01384 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.8 CNCc1cnccn1 PB18749 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.8 c1cc(cnc1)CCN AB04606 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.8 c1ccnc(c1)CCN AB00732 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.8 c1cnc(cn1)CC#N PB16294 [1,1,0,0,0,0|1,0,1]=4 640 B9R1.8 c1cnc(cn1)CC=O AB57650 [1,1,0,0,0,0|1,0,1]=4 641 B9R1.8 c1cnc(cn1)CCN AB22666 [1,1,0,0,0,0|1,0,0]=3 642 B9R1.8 c1cnc(cn1)CNN PB20222 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [1,1,0,0,0,0|1,1,0]=4 649 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [1,1,0,0,0,0|1,1,0]=4 652 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.3 Cc1c(ccnc1Br)Cl AB71053 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.3 Cc1c(ccnc1Br)F AB71081 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.3 Cc1c(ccnc1Cl)Br AB53555 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.3 Cc1c(ccnc1Cl)I AB13660 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.3 Cc1c(ccnc1Cl)N AB75729 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.3 Cc1c(ccnc1Cl)O AB71179 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.3 Cc1c(ccnc1F)Br AB53559 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.3 Cc1c(ccnc1F)N AB82851 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.3 Cc1c(ccnc1F)O AB71301 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.3 Cc1c(ccnc1N)Cl AB70874 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.3 Cc1c(ccnc1N)F AB70896 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.3 Cc1c(ccnc1O)Cl AB71198 [1,1,0,0,0,0|1,1,0]=4 667 B9R1.3 Cc1c(ccnc1O)F AB71318 [1,1,0,0,0,0|1,1,0]=4 668 B9R1.3 Cc1c(nccc1Br)C AB74548 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.3 Cc1c(nccc1Cl)C AB72126 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.3 Cc1c(nccc1N)C AB01511 [1,1,0,0,0,0|1,0,0]=3 671 B9R1.3 Cc1c(nccc1O)C AB75493 [1,1,0,0,0,0|1,0,0]=3 672 B9R1.3 Cc1c(ncnc1Cl)C AB54898 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.3 Cc1c(ncnc1N)C AB54984 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.3 Cc1c(ncnc1O)C AB05196 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.3 Cc1ccnc(c1Br)C AB53712 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.3 Cc1ccnc(c1C)Br AB25365 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.3 Cc1ccnc(c1C)N AB11611 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.3 Cc1ccnc(c1C)O AB66577 [1,1,0,0,0,0|1,1,0]=4 679 B9R1.3 Cc1ccnc(c1N)C AB43810 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.3 Cc1ccnc(c1O)C AB43831 [1,1,0,0,0,0|1,1,0]=4 681 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.69 Cc1c(nc(cn1)Br)N AB85726 [1,1,0,0,0,0|1,0,0]=3 708 B9R1.69 Cc1c(nc(cn1)Cl)C AB68573 [1,1,0,0,0,0|0,0,0]=2 709 B9R1.69 Cc1c(nc(cn1)N)Br CB11882 [1,1,0,0,0,0|1,0,0]=3 710 B9R1.69 Cc1c(nc(cn1)N)C AB53106 [1,1,0,0,0,0|0,0,0]=2 711 B9R1.69 Cc1c(ncc(n1)Br)Br AB72476 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.69 Cc1c(ncc(n1)Br)Cl AB72492 [1,1,0,0,0,0|1,0,0]=3 713 B9R1.69 Cc1c(ncc(n1)Br)I AB72495 [1,1,0,0,0,0|1,0,0]=3 714 B9R1.69 Cc1c(ncc(n1)Br)N AB48639 [1,1,0,0,0,0|1,0,0]=3 715 B9R1.69 Cc1c(ncc(n1)Br)O AB85718 [1,1,0,0,0,0|0,1,0]=3 716 B9R1.69 Cc1c(ncc(n1)Cl)Br AB72477 [1,1,0,0,0,0|1,0,0]=3 717 B9R1.69 Cc1c(ncc(n1)Cl)Cl AB70649 [1,1,0,0,0,0|1,0,0]=3 718 B9R1.69 Cc1c(ncc(n1)Cl)F AB85699 [1,1,0,0,0,0|1,0,0]=3 719 B9R1.69 Cc1c(ncc(n1)Cl)I AB72504 [1,1,0,0,0,0|1,0,0]=3 720 B9R1.69 Cc1c(ncc(n1)Cl)N AB54525 [1,1,0,0,0,0|1,0,0]=3 721 B9R1.69 Cc1c(ncc(n1)F)Br AB85703 [1,1,0,0,0,0|1,0,0]=3 722 B9R1.69 Cc1c(ncc(n1)F)Cl AB85700 [1,1,0,0,0,0|1,0,0]=3 723 B9R1.69 Cc1c(ncc(n1)I)Br AB72480 [1,1,0,0,0,0|1,0,0]=3 724 B9R1.69 Cc1c(ncc(n1)N)Br AB48621 [1,1,0,0,0,0|1,0,0]=3 725 B9R1.69 Cc1c(nnc(n1)C)Cl AB72440 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.69 Cc1c(nnc(n1)Cl)Cl AB72423 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [1,1,0,0,0,0|1,1,0]=4 731 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [1,1,0,0,0,0|1,1,0]=4 733 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.69 Cc1cc(cnc1Br)F AB53312 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.69 Cc1cc(cnc1Br)N AB13464 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.69 Cc1cc(cnc1Br)O AB53545 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.69 Cc1cc(cnc1C)Br AB64498 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [1,1,0,0,0,0|1,0,0]=3 740 B9R1.69 Cc1cc(cnc1C)N AB42833 [1,1,0,0,0,0|1,0,0]=3 741 B9R1.69 Cc1cc(cnc1C)O AB65534 [1,1,0,0,0,0|1,0,0]=3 742 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.69 Cc1cc(cnc1F)Br AB13475 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.69 Cc1cc(cnc1F)N AB13474 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.69 Cc1cc(cnc1F)O AB53562 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.69 Cc1cc(cnc1I)Br AB42361 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.69 Cc1cc(cnc1N)Br AB02787 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.69 Cc1cc(cnc1N)F AB41238 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.69 Cc1cc(cnc1N)I AB10923 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.69 Cc1cc(cnc1O)Br AB15087 [1,1,0,0,0,0|1,1,0]=4 758 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [1,1,0,0,0,0|1,1,0]=4 759 B9R1.69 Cc1cc(cnc1O)F AB82901 [1,1,0,0,0,0|1,1,0]=4 760 B9R1.69 Cc1cc(cnc1O)I CB10781 [1,1,0,0,0,0|1,1,0]=4 761 B9R1.69 Cc1cc(cnc1O)N AB41215 [1,1,0,0,0,0|1,1,0]=4 762 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.69 Cc1ccc(nc1Br)Br AB16615 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.69 Cc1ccc(nc1Br)C AB65454 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.69 Cc1ccc(nc1Br)Cl AB62917 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.69 Cc1ccc(nc1Br)F AB71569 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.69 Cc1ccc(nc1C)Br AB64947 [1,1,0,0,0,0|1,0,0]=3 768 B9R1.69 Cc1ccc(nc1C)N AB23050 [1,1,0,0,0,0|1,0,0]=3 769 B9R1.69 Cc1ccc(nc1C)O AB54521 [1,1,0,0,0,0|1,0,0]=3 770 B9R1.69 Cc1ccc(nc1Cl)Br AB74690 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.69 Cc1ccc(nc1Cl)N AB70428 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.69 Cc1ccc(nc1F)Br AB74556 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.69 Cc1ccc(nc1F)N AB83080 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.69 Cc1ccc(nc1F)O AB71306 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.69 Cc1ccc(nc1N)Br AB71668 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.69 Cc1ccc(nc1N)C AB25382 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.69 Cc1ccc(nc1N)Cl AB73562 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.69 Cc1ccc(nc1N)F AB82883 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.69 Cc1ccc(nc1N)N AB43423 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.69 Cc1ccc(nc1O)C AB71286 [1,1,0,0,0,0|1,1,0]=4 782 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [1,1,0,0,0,0|1,1,0]=4 783 B9R1.69 Cc1ccc(nc1O)F AB82880 [1,1,0,0,0,0|1,1,0]=4 784 B9R1.69 Cc1cnc(c(n1)Br)C AB65522 [1,1,0,0,0,0|1,0,0]=3 785 B9R1.69 Cc1cnc(c(n1)Br)N CB11261 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.69 Cc1cnc(c(n1)C)Br AB73101 [1,1,0,0,0,0|1,0,0]=3 787 B9R1.69 Cc1cnc(c(n1)C)Cl AB03542 [1,1,0,0,0,0|1,0,0]=3 788 B9R1.69 Cc1cnc(c(n1)C)N AB03436 [1,1,0,0,0,0|1,0,0]=3 789 B9R1.69 Cc1cnc(c(n1)Cl)C AB00609 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.69 c1c(cnc(c1N)S)Br AB40982 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.69 c1c(cnc(c1N)S)Cl AB41057 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.69 c1c(nc(c(n1)Br)Cl)Br AB72488 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.69 c1c(nc(c(n1)Br)Cl)I AB72490 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.69 c1c(nc(c(n1)Br)Cl)N PB28090 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.69 c1c(nc(c(n1)Br)N)Br PB11968 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.69 c1c(nc(c(n1)Br)N)Cl PB25331 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.69 c1c(nc(c(n1)Cl)Br)Br PB28518 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.69 c1c(nc(c(n1)Cl)Cl)N AB76542 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.69 c1c(nc(c(n1)Cl)N)Cl AB70503 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.69 c1c(nc(c(n1)I)Cl)Cl AB69264 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.69 c1c(nc(c(n1)N)Br)Br PB10167 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.69 c1c(nc(c(n1)N)Br)Cl AB54749 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.69 c1c(nc(c(n1)N)Cl)Br PB34579 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.69 c1c(nc(c(n1)N)Cl)Cl AB62777 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.69 c1c(nc(c(n1)N)Cl)I PB36564 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.69 c1c(nc(c(n1)N)N)Br PB20156 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.69 c1c(nc(c(n1)N)N)Cl AB71823 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.33 CC1=NC=NC1CCN AB45417 [0,1,0,0,1,0|1,0,1]=4 809 B9R1.33 Cc1c(non1)CNC AB27939 [0,1,0,0,1,0|2,0,0]=4 810 B9R1.33 Cc1c(scn1)CCBr AB76661 [0,1,0,0,1,0|2,0,0]=4 811 B9R1.33 Cc1c(scn1)CCCl AB07565 [0,1,0,0,1,0|2,0,0]=4 812 B9R1.33 Cc1c(scn1)CCN AB43197 [0,1,0,0,1,0|2,0,0]=4 813 B9R1.33 Cc1c(scn1)CCO AB00407 [0,1,0,0,1,0|2,0,0]=4 814 B9R1.33 Cn1ccnc1CCN AB26757 [0,1,0,0,1,0|2,0,0]=4 815 B9R1.41 CC(=O)c1nccn1C PB12530 [0,1,0,0,1,0|2,0,0]=4 816 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.159 Cc1c(ccnc1C(=O)C)Cl AB75838 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.159 Cc1c(ccnc1C(=O)C)F AB82924 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.265 CCc1c(cccc1SC)O MB23611 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.265 CCc1cccc(c1SC)O MB24077 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.265 CNc1c(cccc1SC)O MB30027 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.265 CNc1cccc(c1SC)O MB32690 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.265 CSc1c(cccc1O)CN MB33464 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.265 CSc1cccc(c1CN)O MB30038 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.41 COc1c(cccn1)CCN AB45444 [0,2,0,0,0,0|1,1,0]=4 830 B11R1.81 Cc1c(ccc(n1)Cl)CCN AB85389 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.81 Cc1cc(cnc1CCN)Cl AB83241 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.81 Cc1cc(cnc1CCN)F AB82903 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.86 CC(C)Oc1c(nccn1)Cl MB13976 [0,2,0,0,0,0|1,1,0]=4 835 B11R1.182 CCOc1c(ncc(n1)Br)N MB06257 [0,2,0,0,0,0|1,1,0]=4 836 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,2,0,0,0,0|1,1,0]=4 841 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,2,0,0,0,0|1,1,0]=4 842 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,2,0,0,0,0|1,1,0]=4 843 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,2,0,0,0,0|0,1,0]=3 844 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,2,0,0,0,0|1,1,0]=4 845 B11R1.605 Cc1c(c(ccn1)Cl)CCN AB83338 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.605 Cc1c(c(ccn1)F)CCN AB83021 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.605 Cc1ccnc(c1CCN)C AB82522 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.37 CCc1cc(ccc1SC)O MB23769 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.37 CCc1ccc(cc1SC)O MB23964 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.37 CNc1c(nc(cn1)Br)OC MB19790 [0,2,0,0,0,0|0,1,0]=3 851 B11R1.37 CNc1cc(ccc1SC)O MB34610 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.37 CNc1cc(cnc1OC)Br AB40963 [0,2,0,0,0,0|1,1,0]=4 853 B11R1.37 CNc1ccc(cc1SC)O MB28485 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.37 COc1c(cc(cn1)Br)CN PB27036 [0,2,0,0,0,0|1,1,0]=4 855 B11R1.37 COc1c(cc(cn1)Br)CO PB19176 [0,2,0,0,0,0|1,1,0]=4 856 B11R1.37 COc1c(cc(cn1)F)CN AB74754 [0,2,0,0,0,0|1,1,0]=4 857 B11R1.37 COc1c(ncc(n1)Cl)C=O AB60447 [0,2,0,0,0,0|0,1,1]=4 858 B11R1.37 COc1ccc(cc1SC)O MB31332 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.37 CSc1cc(ccc1CN)O MB26243 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.37 CSc1ccc(cc1CN)O MB36837 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.37 CSc1ccc(cc1SC)O MB28889 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.37 Cc1cnc(c(n1)OC)C=O AB60450 [0,2,0,0,0,0|0,1,1]=4 863 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,2,0,0,0,0|1,1,0]=4 864 B11R1.53 CC(C)c1cccnc1CO AB65913 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,2,0,0,0,0|1,1,0]=4 866 B11R1.53 COc1c(nccn1)C(=O)O AB60438 [0,2,0,0,0,0|0,1,1]=4 867 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)C AB11952 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.166 Cc1c(ncc(n1)Br)C(=O)O AB85708 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)C AB85683 [0,2,0,0,0,0|1,0,0]=3 870 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)O AB85679 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.166 Cc1cc(cnc1C(=O)C)Cl AB75124 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.166 Cc1cc(cnc1C(=O)C)F AB74622 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.277 Cc1c(cc(c(n1)O)N)OC AB63871 [0,2,0,0,0,0|1,1,0]=4 876 B11R1.279 Cc1c(ncc(n1)OC)C#N AB85677 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.279 Cc1c(ncc(n1)OC)C=O AB85667 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.279 Cc1c(ncc(n1)OC)CCl AB85673 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.279 Cc1c(ncc(n1)OC)CN AB85675 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.279 Cc1cc(cnc1OC)C#N AB65209 [0,2,0,0,0,0|1,1,0]=4 881 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [0,2,0,0,0,0|1,1,0]=4 882 B11R1.464 Cc1c(c(cc(n1)Cl)Cl)OC PB29876 [0,2,0,0,0,0|1,1,0]=4 883 B11R1.167 CC(=O)c1c(ncc(n1)Br)N AB72516 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.167 CC(=O)c1c(ncc(n1)Cl)Cl AB85729 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.167 CC(=O)c1c(ncc(n1)Cl)N AB72517 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.167 Cc1ccc(nc1C(=O)C)C AB74573 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.167 Cc1ccc(nc1C(=O)C)Cl AB83230 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.167 Cc1ccc(nc1C(=O)C)F AB82886 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.167 Cc1cnc(c(n1)C(=O)C)C AB02268 [0,2,0,0,0,0|1,0,0]=3 891 B11R1.87 CC(C)(C)c1c(nccn1)Cl MB13968 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.87 CS(=O)(=O)c1c(nccn1)Cl MB13985 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.87 Cc1c(cccn1)C(C)(C)N AB66961 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)C AB75127 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.156 Cc1c(c(ccn1)F)C(=O)C AB83017 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.156 Cc1c(c(ccn1)N)C(=O)C AB83826 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.156 Cc1c(c(ccn1)O)C(=O)C AB84225 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.156 Cc1ccnc(c1C(=O)C)C AB76229 [0,2,0,0,0,0|2,0,0]=4 899 B11R2.106 Cc1c2c(ccn1)CNC2 AB76710 [0,1,0,1,0,0|2,0,0]=4 900 B11R2.106 c1cnc2c(c1Br)CCN2 AB76365 [0,1,0,1,0,0|2,0,0]=4 901 B11R2.106 c1cnc2c(c1I)CCN2 AB85220 [0,1,0,1,0,0|2,0,0]=4 902 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,1,0,1,0,0|2,0,0]=4 903 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,1,0,1,0,0|2,0,0]=4 904 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,1,0,1,0,0|2,0,0]=4 905 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [0,1,0,1,0,0|2,0,0]=4 906 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,1,0,1,0,0|1,1,0]=4 907 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,1,0,1,0,0|1,1,0]=4 908 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [0,1,0,1,0,0|1,0,0]=3 909 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [0,1,0,1,0,0|2,0,0]=4 910 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,1,0,1,0,0|2,0,0]=4 911 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,1,0,1,0,0|2,0,0]=4 912 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,1,0,1,0,0|2,0,0]=4 913 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,1,0,1,0,0|1,1,0]=4 914 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [0,1,0,1,0,0|2,0,0]=4 915 B11R2.36 c1c(cnc2c1CCN2)Br PB26222 [0,1,0,1,0,0|2,0,0]=4 916 B11R2.36 c1c(cnc2c1NCC2)Br AB73731 [0,1,0,1,0,0|2,0,0]=4 917 B11R2.36 c1c(nc2=CCN=c2n1)Cl PB23882 [0,1,0,1,0,0|1,0,1]=4 918 B11R2.36 c1c(nc2=NCC=c2n1)Br PB16748 [0,1,0,1,0,0|1,0,1]=4 919 B11R2.36 c1c(nc2=NCC=c2n1)Cl PB33029 [0,1,0,1,0,0|1,0,1]=4 920 B11R2.36 c1c(nc2c(n1)CCN2)Cl AB85069 [0,1,0,1,0,0|1,0,0]=3 921 B11R2.36 c1c(nc2c(n1)CNC2)Cl AB77193 [0,1,0,1,0,0|2,0,0]=4 922 B11R2.36 c1c(nc2c(n1)NCC2)Br AB85721 [0,1,0,1,0,0|1,0,0]=3 923 B11R2.36 c1c(nc2c(n1)ncs2)Br MB14618 [0,1,0,1,0,0|1,0,1]=4 924 B11R2.36 c1cc(nc2c1NCC2)Br AB73732 [0,1,0,1,0,0|2,0,0]=4 925 B11R2.36 c1cc(nc2c1NCC2)Cl AB71540 [0,1,0,1,0,0|2,0,0]=4 926 B11R2.36 c1cc(nc2c1NCC2)F AB73742 [0,1,0,1,0,0|2,0,0]=4 927 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,0,1,0|1,0,1]=4 928 B7R1.1 CCn1cncn1 AB31524 [1,0,0,0,1,0|2,0,0]=4 929 B7R1.1 COc1nccs1 AB09330 [1,0,0,0,1,0|1,1,0]=4 930 B7R1.1 CSC1=NC=NC1 CB10764 [1,0,0,0,1,0|0,0,1]=3 931 B7R1.4 CC1=C(C=NC1)C PB27606 [1,0,0,0,1,0|2,0,0]=4 932 B7R1.4 CC1=NC=NC1Br AB26578 [1,0,0,0,1,0|1,0,1]=4 933 B7R1.4 CC1=NC=NC1N MB11358 [1,0,0,0,1,0|1,0,1]=4 934 B7R1.4 CC1C(=NC=N1)C AB09621 [1,0,0,0,1,0|0,0,1]=3 935 B7R1.4 Cc1c(cco1)N AB71442 [1,0,0,0,1,0|2,0,0]=4 936 B7R1.4 Cc1c(con1)N MB11367 [1,0,0,0,1,0|2,0,0]=4 937 B7R1.4 Cc1c(nco1)N MB11380 [1,0,0,0,1,0|2,0,0]=4 938 B7R1.4 Cc1c(ocn1)C AB63543 [1,0,0,0,1,0|1,0,0]=3 939 B7R1.4 Cc1c(ocn1)N MB11381 [1,0,0,0,1,0|2,0,0]=4 940 B7R1.4 Cc1ccsc1Br PB25943 [1,0,0,0,1,0|2,0,0]=4 941 B7R1.4 Cc1conc1N MB11363 [1,0,0,0,1,0|2,0,0]=4 942 B7R1.4 Cc1nccn1N AB44383 [1,0,0,0,1,0|2,0,0]=4 943 B7R1.4 Cn1c(ccn1)N PB33809 [1,0,0,0,1,0|2,0,0]=4 944 B7R1.4 Cn1ccnc1Br AB11315 [1,0,0,0,1,0|2,0,0]=4 945 B7R1.4 Cn1ccnc1Cl AB11324 [1,0,0,0,1,0|2,0,0]=4 946 B7R1.4 Cn1ccnc1I PB32223 [1,0,0,0,1,0|2,0,0]=4 947 B7R1.4 Cn1ccnc1N AB59774 [1,0,0,0,1,0|2,0,0]=4