0 B10R1.20 COc1c(cccn1)C#C AB69070 [0,0,0,0,0,0|1,1,2]=4 1 B10R1.20 COc1c(cccn1)C#N PB30871 [0,0,0,0,0,0|2,1,1]=4 2 B10R1.20 COc1c(cccn1)C=O PB26137 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.20 COc1c(cccn1)CCl AB54482 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.20 COc1c(cccn1)CN PB10680 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.20 COc1c(cccn1)CN PB15194 [0,0,0,0,0,0|2,1,0]=3 6 B10R1.20 COc1c(cccn1)CO PB20446 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.20 COc1c(nccn1)C#N AB22503 [0,0,0,0,0,0|1,1,1]=3 8 B10R1.20 COc1c(nccn1)C=O AB55611 [0,0,0,0,0,0|1,1,1]=3 9 B10R1.20 COc1c(nncn1)CN PB39100 [0,0,0,0,0,0|2,1,0]=3 10 B10R1.20 COc1cccnc1C#N AB40617 [0,0,0,0,0,0|2,1,1]=4 11 B10R1.20 COc1cccnc1C=O AB22246 [0,0,0,0,0,0|2,1,1]=4 12 B10R1.20 COc1cccnc1CCl AB60052 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.20 COc1cccnc1CN AB40619 [0,0,0,0,0,0|2,1,0]=3 14 B10R1.20 COc1cccnc1CO MB05449 [0,0,0,0,0,0|2,1,0]=3 15 B10R1.20 COc1cccnc1OC AB13430 [0,0,0,0,0,0|2,1,0]=3 16 B10R1.20 CSc1c(cccn1)C=O MB07044 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.20 CSc1c(cccn1)CO MB07043 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.20 c1cc(c(nc1)C#N)CBr MB06806 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.20 c1cc(c(nc1)C#N)CCl AB60071 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.20 c1cc(c(nc1)C#N)CN AB67388 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.20 c1cc(c(nc1)C#N)CO AB31401 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.20 c1cc(c(nc1)CCl)C#N AB60058 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.20 c1cc(c(nc1)CCl)C=O AB69680 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.20 c1cc(c(nc1)CCl)CCl AB60050 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.20 c1cc(c(nc1)CN)C#N AB67702 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.15 CCc1c(cccn1)Br AB68544 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.15 CCc1c(cccn1)O MB01433 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.15 CCc1c(cncn1)F PB21906 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 CCc1cncnc1Cl AB62552 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 CNc1c(nccn1)Cl MB13992 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.15 CNc1cccnc1Br AB39252 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.15 COc1c(cccn1)Br PB20024 [1,0,0,0,0,0|2,1,0]=4 36 B9R1.15 COc1c(cccn1)Cl AB13603 [1,0,0,0,0,0|2,1,0]=4 37 B9R1.15 COc1c(cccn1)F AB13397 [1,0,0,0,0,0|2,1,0]=4 38 B9R1.15 COc1c(cccn1)I AB13400 [1,0,0,0,0,0|2,1,0]=4 39 B9R1.15 COc1c(cccn1)N AB07386 [1,0,0,0,0,0|2,1,0]=4 40 B9R1.15 COc1c(cccn1)O AB06074 [1,0,0,0,0,0|2,1,0]=4 41 B9R1.15 COc1c(nccn1)Cl MB02506 [1,0,0,0,0,0|1,1,0]=3 42 B9R1.15 COc1c(nccn1)N AB22450 [1,0,0,0,0,0|1,1,0]=3 43 B9R1.15 COc1cccnc1Br PB29151 [1,0,0,0,0,0|2,1,0]=4 44 B9R1.15 COc1cccnc1Cl AB14749 [1,0,0,0,0,0|2,1,0]=4 45 B9R1.15 COc1cccnc1I AB05182 [1,0,0,0,0,0|2,1,0]=4 46 B9R1.15 COc1cccnc1N AB40614 [1,0,0,0,0,0|2,1,0]=4 47 B9R1.15 COc1cccnc1O AB43293 [1,0,0,0,0,0|2,1,0]=4 48 B9R1.15 CSc1c(cccn1)O MB01598 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.15 CSc1cccnc1Br MB13966 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.15 Cc1c(cccn1)C#C AB66573 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.15 Cc1c(cccn1)C#N PB23449 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.15 Cc1c(cccn1)CN AB14093 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 Cc1c(cccn1)CO AB01512 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.15 Cc1c(cccn1)OC AB03569 [1,0,0,0,0,0|1,1,0]=3 59 B9R1.15 Cc1c(nccn1)C#N AB48635 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.15 Cc1c(nccn1)C=O PB13166 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.15 Cc1c(nccn1)CCl PB22746 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.15 Cc1c(nccn1)CN PB38635 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.15 Cc1c(nccn1)CO PB22269 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.15 Cc1cccnc1C=O PB14292 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.15 Cc1cccnc1CCl PB32645 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.15 Cc1cccnc1CN AB20671 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.15 Cc1cccnc1CO AB12590 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.15 Cc1cccnc1OC AB31414 [1,0,0,0,0,0|1,1,0]=3 69 B9R1.15 Cc1ccnnc1CN PB36913 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,0,0,0,0,0|2,1,0]=4 85 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,0,0,0,0,0|2,1,0]=4 89 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.15 c1cc(c(nc1)F)CN AB23466 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,0,0,0,0,0|2,1,0]=4 96 B9R1.15 c1cnc(c(n1)C#N)Cl PB12144 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.15 c1cnc(c(n1)C#N)N AB10707 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.15 c1cnc(c(n1)CN)N AB53146 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.15 c1cnc(c(n1)NN)Cl PB16012 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 c1nc(c(nn1)CN)Cl AB85242 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.37 CCc1cc(ccc1NC)O MB23761 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.37 CCc1cc(ccc1OC)O MB13572 [0,1,0,0,0,0|2,1,0]=4 108 B11R1.37 CCc1cc(ccc1SC)O MB23769 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.37 CCc1ccc(cc1CC)O MB23941 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.37 CCc1ccc(cc1NC)O MB23952 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.37 CCc1ccc(cc1OC)O MB23954 [0,1,0,0,0,0|2,1,0]=4 112 B11R1.37 CCc1ccc(cc1SC)O MB23964 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.37 CNc1c(nc(cn1)Br)OC MB19790 [0,1,0,0,0,0|1,1,0]=3 114 B11R1.37 CNc1cc(ccc1SC)O MB34610 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.37 CNc1cc(cnc1OC)Br AB40963 [0,1,0,0,0,0|2,1,0]=4 116 B11R1.37 CNc1ccc(cc1SC)O MB28485 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.37 COc1c(cc(cn1)Br)CN PB27036 [0,1,0,0,0,0|2,1,0]=4 118 B11R1.37 COc1c(cc(cn1)Br)CO PB19176 [0,1,0,0,0,0|2,1,0]=4 119 B11R1.37 COc1c(cc(cn1)F)CN AB74754 [0,1,0,0,0,0|2,1,0]=4 120 B11R1.37 COc1c(ncc(n1)Cl)C=O AB60447 [0,1,0,0,0,0|1,1,1]=4 121 B11R1.37 COc1ccc(cc1SC)O MB31332 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.37 CSc1cc(ccc1CN)O MB26243 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.37 CSc1ccc(cc1CN)O MB36837 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.37 CSc1ccc(cc1SC)O MB28889 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.37 Cc1cnc(c(n1)OC)C=O AB60450 [0,1,0,0,0,0|1,1,1]=4 126 B11R1.41 CCCc1c(cccn1)C#N AB28607 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.41 CCOc1c(cccn1)C#C AB69075 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.41 CCOc1c(cccn1)C=O AB30394 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.41 COc1c(cccn1)CCN AB45444 [0,1,0,0,0,0|1,1,0]=3 130 B11R1.53 B(c1cccnc1CC)(O)O AB40894 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,1,0,0,0,0|1,1,1]=4 132 B11R1.53 CC(C)c1cccnc1C=O AB65916 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.53 CC(C)c1cccnc1CO AB65913 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,1,0,0,0,0|1,1,0]=3 135 B11R1.53 CCc1c(cccn1)[N+](=O)[O-] PB33572 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.53 COc1c(nccn1)C(=O)O AB60438 [0,1,0,0,0,0|1,1,1]=4 137 B11R1.265 CCc1c(cccc1O)NC MB23593 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.265 CCc1c(cccc1OC)O MB23601 [0,1,0,0,0,0|2,1,0]=4 139 B11R1.265 CCc1c(cccc1SC)O MB23611 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.265 CCc1cccc(c1CC)O MB24051 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.265 CCc1cccc(c1NC)O MB24062 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.265 CCc1cccc(c1OC)O MB24065 [0,1,0,0,0,0|2,1,0]=4 143 B11R1.265 CCc1cccc(c1SC)O MB24077 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.265 CNc1c(cccc1SC)O MB30027 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.265 CNc1cccc(c1SC)O MB32690 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.265 CSc1c(cccc1O)CN MB33464 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.265 CSc1cccc(c1CN)O MB30038 [0,1,0,0,0,0|3,0,0]=4 148 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,1,0,0|2,0,1]=4 149 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,1,0,0|3,0,0]=4 150 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,0|3,0,0]=4 151 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,1,0,0|3,0,0]=4 152 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,0,0,1,0,0|2,1,0]=4 153 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,0,0,1,0,0|2,0,0]=3 154 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,0,0,1,0,0|3,0,0]=4 155 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,0,0,1,0,0|3,0,0]=4 156 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [0,0,0,1,0,0|3,0,0]=4 157 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,0,0,1,0,0|2,1,0]=4 158 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,0,0,1,0,0|2,1,0]=4 159 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.14 CCC1=C(C=NC1)CC AB43391 [0,0,0,0,1,0|3,0,0]=4 161 B9R1.14 CCn1c(ccn1)C=O AB13772 [0,0,0,0,1,0|3,0,0]=4 162 B8R1.2 C#Cc1cnccn1 PB18058 [2,0,0,0,0,0|0,0,2]=4 163 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|1,1,0]=4 165 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 c1cnc(cn1)C#N AB02102 [2,0,0,0,0,0|1,0,1]=4 171 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|1,0,1]=4 172 B8R1.2 c1cnc(cn1)CCl PB20483 [2,0,0,0,0,0|1,0,0]=3 173 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.2 c1cnc(cn1)CO PB21779 [2,0,0,0,0,0|1,0,0]=3 175 B8R1.2 c1cnc(cn1)NN PB12798 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.5 Cc1c(cccn1)Br PB27472 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.5 Cc1c(cccn1)Cl AB17903 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.5 Cc1c(cccn1)F AB48604 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.5 Cc1c(cccn1)N PB33695 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.5 Cc1c(cccn1)O PB18442 [2,0,0,0,0,0|1,1,0]=4 181 B8R1.5 Cc1c(nccn1)Br PB10597 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.5 Cc1c(nccn1)Cl PB18413 [2,0,0,0,0,0|1,0,0]=3 183 B8R1.5 Cc1c(nccn1)I PB26409 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.5 Cc1c(nccn1)N PB32667 [2,0,0,0,0,0|1,0,0]=3 185 B8R1.5 Cc1c(nccn1)O PB12942 [2,0,0,0,0,0|0,1,0]=3 186 B8R1.5 Cc1cccnc1Br AB05448 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.5 Cc1cccnc1Cl AB05179 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.5 Cc1cccnc1N AB17908 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.5 Cc1cccnc1O AB03538 [2,0,0,0,0,0|1,1,0]=4 190 B8R1.5 c1cc(c(nc1)N)S AB64540 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.5 c1cnc(c(n1)N)Br MB08183 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.5 c1cnc(c(n1)N)N PB10452 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.2 CCc1cccc(c1C)O MB24030 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.2 Cc1c(cccc1SC)O MB35924 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.2 Cc1c(ccnc1CCl)Cl AB75387 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.2 Cc1c(ccnc1CCl)F AB82925 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.2 Cc1c(ccnc1CN)F AB82928 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.2 Cc1c(ccnc1CO)Br AB53756 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.2 Cc1ccnc(c1C)CCl AB49318 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.2 Cc1ccnc(c1C)CN AB76790 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.4 CNCc1c(cccn1)F PB12566 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.4 CNCc1cccnc1Cl AB53845 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.4 c1cnc(c(n1)CC#N)Cl PB11137 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.25 CCc1ccc(nc1N)C AB03677 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.25 CSc1c(cc(cn1)Br)N AB40978 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 CSc1c(cc(cn1)Cl)N AB41053 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.25 Cc1c(ccc(n1)Br)CCl AB69339 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.25 Cc1c(ccc(n1)Br)CN AB69340 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.25 Cc1c(ccc(n1)Cl)CN AB74568 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [1,1,0,0,0,0|1,1,0]=4 227 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [1,1,0,0,0,0|1,1,0]=4 228 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [1,1,0,0,0,0|1,1,0]=4 229 B10R1.25 Cc1c(ncc(n1)Br)C#N AB72506 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.25 Cc1c(ncc(n1)Br)C=O AB85714 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.25 Cc1c(ncc(n1)Br)OC AB85717 [1,1,0,0,0,0|0,1,0]=3 232 B10R1.25 Cc1c(ncc(n1)Cl)C#N AB72505 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.25 Cc1c(ncc(n1)Cl)C=O AB85687 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.25 Cc1c(ncc(n1)Cl)CCl AB76483 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.25 Cc1c(ncc(n1)Cl)CN AB85686 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.25 Cc1cc(cnc1CCl)Cl AB75121 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.25 Cc1cc(cnc1CCl)F AB74796 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.25 Cc1cc(cnc1CN)Br AB41237 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.25 Cc1cc(cnc1CN)Cl AB75120 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.25 Cc1cc(cnc1CN)F AB41242 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [1,1,0,0,0,0|1,1,0]=4 245 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [1,1,0,0,0,0|1,1,0]=4 246 B10R1.25 Cc1cc(cnc1OC)N AB20996 [1,1,0,0,0,0|1,1,0]=4 247 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.25 Cc1cnc(c(n1)C)CN AB73102 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.25 c1c(nc(c(n1)CCl)N)Cl AB85693 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.30 COc1c(ncc(n1)Br)Br AB54782 [1,1,0,0,0,0|1,1,0]=4 252 B10R1.30 COc1c(ncc(n1)Br)Cl AB72501 [1,1,0,0,0,0|1,1,0]=4 253 B10R1.30 COc1c(ncc(n1)Br)N AB44806 [1,1,0,0,0,0|1,1,0]=4 254 B10R1.30 COc1c(ncc(n1)Cl)N AB64255 [1,1,0,0,0,0|1,1,0]=4 255 B10R1.30 Cc1c(cc(cn1)Cl)CN AB62431 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.30 Cc1ccc(nc1CCl)C AB75390 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.30 Cc1ccc(nc1CCl)Cl AB75115 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.30 Cc1ccc(nc1CCl)F AB82887 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.30 Cc1ccc(nc1CN)C AB65466 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.30 Cc1ccc(nc1CN)Cl AB75112 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.30 Cc1ccc(nc1CN)F AB82890 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.30 Cc1cnc(c(n1)CCl)C AB76280 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.30 Cc1cnc(c(n1)CN)C AB77043 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.30 c1c(nc(c(n1)N)CCl)Cl AB85695 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,1,0,0,0,0|1,1,0]=4 271 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.61 CC(c1cccnc1Br)N AB41828 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.61 CC(c1cccnc1Cl)N AB67346 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.245 CCc1c(cccc1O)C MB23554 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.245 Cc1c(c(ccn1)Cl)CCl AB83333 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.245 Cc1c(c(ccn1)Cl)CN AB83336 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [1,1,0,0,0,0|1,1,0]=4 283 B10R1.245 Cc1c(c(ccn1)F)CCl AB83019 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.245 Cc1c(c(ccn1)F)CN AB83020 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.245 Cc1cccc(c1SC)O MB08534 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.245 Cc1ccnc(c1CCl)C AB75399 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.245 Cc1ccnc(c1CN)C AB75357 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.57 CC(C)c1ccc(cc1SC)O MB30926 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.57 CN(C)c1c(nc(cn1)Br)OC MB19785 [0,2,0,0,0,0|1,1,0]=4 290 B12R1.77 COC(=O)c1c(nccn1)CBr AB74372 [0,2,0,0,0,0|1,1,0]=4 291 B12R1.121 COc1c(cccn1)CCCN AB55116 [0,2,0,0,0,0|1,1,0]=4 292 B12R1.76 CC(C)(c1cccnc1OC)N AB67115 [0,2,0,0,0,0|1,1,0]=4 293 B12R1.87 CC(C)c1cccc(c1SC)O MB32342 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.437 CC(C)c1c(cccc1SC)O MB26199 [0,2,0,0,0,0|2,0,0]=4 295 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [1,0,0,1,0,0|2,0,0]=4 296 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|2,0,0]=4 297 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [1,0,0,1,0,0|1,0,1]=4 298 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,1,0,0|1,0,0]=3 299 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [1,0,0,1,0,0|1,0,0]=3 300 B12R2.24 Cc1ccc2c(n1)CCCN2 AB76272 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.24 Cc1ccc2c(n1)NCCC2 AB29056 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.24 Cc1cnc2c(n1)CCNC2 AB73936 [0,1,0,1,0,0|2,0,0]=4 303 B12R2.24 c1c(cnc2c1CCCN2)Br AB54509 [0,1,0,1,0,0|2,0,0]=4 304 B12R2.24 c1c(cnc2c1CCCO2)Br AB71711 [0,1,0,1,0,0|1,1,0]=4 305 B12R2.24 c1c(cnc2c1NCCC2)Br AB75329 [0,1,0,1,0,0|2,0,0]=4 306 B12R2.24 c1c(cnc2c1NCCC2)Cl AB74836 [0,1,0,1,0,0|2,0,0]=4 307 B12R2.24 c1c(nc2c(n1)CCNC2)Cl AB73934 [0,1,0,1,0,0|2,0,0]=4 308 B12R2.24 c1c(nc2c(n1)CNCC2)Br AB77044 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.24 c1c(nc2c(n1)CNCC2)Cl AB73933 [0,1,0,1,0,0|2,0,0]=4 310 B12R2.24 c1cc(nc2c1CCCC2)O AB62868 [0,1,0,1,0,0|2,0,0]=4 311 B12R2.24 c1cc(nc2c1NCCC2)Br AB76592 [0,1,0,1,0,0|2,0,0]=4 312 B12R2.24 c1cc(nc2c1NCCC2)Cl AB75331 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.1 CNC1CCc2c1cccn2 AB70125 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.1 CNC1COc2c1cccn2 AB70122 [0,1,0,1,0,0|1,1,0]=4 317 B12R2.315 COc1c2c(ccn1)CNC2 AB77511 [0,1,0,1,0,0|1,1,0]=4 318 B12R2.315 COc1c2c(ccn1)NCC2 AB73029 [0,1,0,1,0,0|1,1,0]=4 319 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.1081 c1cc2c(nc1)C(CCC2)N MB05927 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.1081 c1cc2c(nc1)CCCC2N PB24835 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.1081 c1cc2c(nc1)OCCC2N AB70317 [0,1,0,1,0,0|1,1,0]=4 324 B12R2.1081 c1cnc2c(c1Br)CCCN2 AB76469 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.1081 c1cnc2c(c1Cl)CCCN2 AB77458 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.1081 c1cnc2c(c1I)CCCN2 AB85214 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.11 CC1=NC=NC1CCl AB76255 [1,0,0,0,1,0|1,0,1]=4 328 B8R1.11 CCn1c(ccn1)N PB15601 [1,0,0,0,1,0|2,0,0]=4 329 B8R1.11 Cc1c(ccs1)CCl AB76281 [1,0,0,0,1,0|2,0,0]=4 330 B8R1.11 Cc1c(con1)CN MB06775 [1,0,0,0,1,0|2,0,0]=4 331 B8R1.11 Cc1c(nco1)CCl AB71571 [1,0,0,0,1,0|2,0,0]=4 332 B8R1.11 Cc1c(nco1)CN AB68727 [1,0,0,0,1,0|2,0,0]=4 333 B8R1.11 Cc1c(ncs1)CCl AB76286 [1,0,0,0,1,0|2,0,0]=4 334 B8R1.11 Cc1c(ncs1)CO AB44114 [1,0,0,0,1,0|2,0,0]=4 335 B8R1.11 Cc1c(non1)CN AB28419 [1,0,0,0,1,0|2,0,0]=4 336 B8R1.11 Cc1c(ocn1)CCl MB08890 [1,0,0,0,1,0|2,0,0]=4 337 B8R1.11 Cc1c(ocn1)CO MB03682 [1,0,0,0,1,0|2,0,0]=4 338 B8R1.11 Cc1c(scn1)CCl AB43190 [1,0,0,0,1,0|2,0,0]=4 339 B8R1.11 Cc1c(scn1)CN AB43198 [1,0,0,0,1,0|2,0,0]=4 340 B8R1.11 Cn1c(ccn1)CN PB24806 [1,0,0,0,1,0|2,0,0]=4 341 B8R1.11 Cn1c(ccn1)CO PB14601 [1,0,0,0,1,0|2,0,0]=4 342 B8R1.11 Cn1c(ncn1)CCl MB07932 [1,0,0,0,1,0|2,0,0]=4 343 B8R1.11 Cn1c(ncn1)CN AB25054 [1,0,0,0,1,0|2,0,0]=4 344 B8R1.11 Cn1c(ncn1)CO AB27921 [1,0,0,0,1,0|2,0,0]=4 345 B8R1.11 Cn1ccnc1CN MB07317 [1,0,0,0,1,0|2,0,0]=4 346 B8R1.11 Cn1ccnc1CN PB30844 [1,0,0,0,1,0|2,0,0]=4 347 B8R1.11 Cn1cnnc1SC AB20821 [1,0,0,0,1,0|2,0,0]=4