0 B11R1.41 CCCc1c(cccn1)C#N AB28607 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 CCOc1c(cccn1)C#C AB69075 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.41 CCOc1c(cccn1)C=O AB30394 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.41 COc1c(cccn1)CCN AB45444 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 CCOc1c(cccn1)I AB05213 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 Cc1cccnc1CCN AB31462 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.20 COc1c(cccn1)C#C AB69070 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.20 COc1c(cccn1)C#N PB30871 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.20 COc1c(cccn1)C=O PB26137 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.20 COc1c(cccn1)CCl AB54482 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.20 COc1c(cccn1)CN PB10680 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.20 COc1c(cccn1)CN PB15194 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.20 COc1c(cccn1)CO PB20446 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.20 COc1c(nccn1)C#N AB22503 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.20 COc1c(nccn1)C=O AB55611 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.20 COc1c(nncn1)CN PB39100 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.20 COc1cccnc1C#N AB40617 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.20 COc1cccnc1C=O AB22246 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.20 COc1cccnc1CCl AB60052 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.20 COc1cccnc1CN AB40619 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.20 COc1cccnc1CO MB05449 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.20 COc1cccnc1OC AB13430 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.20 CSc1c(cccn1)CO MB07043 [1,0,0,0,0,0|2,1,0]=4 26 B10R1.20 c1cc(c(nc1)CCl)CCl AB60050 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.75 CC(C)Oc1c(cccn1)C=O AB30397 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.77 COC(=O)c1c(nccn1)CBr AB74372 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.121 CCCOc1c(cccn1)C=O AB30401 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.121 COc1c(cccn1)CCCN AB55116 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.268 CCOc1cc(ccc1OC)Br CB11416 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.283 B(c1cccnc1OCC)(O)O AB23101 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.283 CCOc1c(cccn1)C(=O)O AB03594 [0,1,0,0,0,0|2,0,1]=4 36 B12R2.1 CNC1CCc2c1cccn2 AB70125 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.41 c1ccc2c(c1)CCCCN2 AB05634 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.1081 c1cc2c(nc1)C(CCC2)N MB05927 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.1081 c1cc2c(nc1)CCCC2N PB24835 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,0,0,1,0,0|2,0,1]=4 43 B12R2.1081 c1cc2c(nc1)OCCC2N AB70317 [0,0,0,1,0,0|2,0,0]=3 44 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.5 CCCn1c(ncn1)CO AB28082 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.8 CNCc1cnccn1 PB18749 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.8 c1cnc(cn1)CCN AB22666 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 CCc1c(cccn1)Br AB68544 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 CCc1c(cccn1)O MB01433 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.15 CNc1c(nccn1)Cl MB13992 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.15 COc1c(cccn1)Br PB20024 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 COc1c(cccn1)Cl AB13603 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.15 COc1c(cccn1)F AB13397 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 COc1c(cccn1)I AB13400 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.15 COc1c(cccn1)N AB07386 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.15 COc1c(cccn1)O AB06074 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 COc1c(nccn1)Cl MB02506 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.15 COc1c(nccn1)N AB22450 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.15 COc1cccnc1Br PB29151 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 COc1cccnc1Cl AB14749 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 COc1cccnc1I AB05182 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 COc1cccnc1N AB40614 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 COc1cccnc1O AB43293 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 CSc1c(cccn1)O MB01598 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 Cc1c(cccn1)CBr PB19196 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 Cc1c(cccn1)CCl AB51469 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 Cc1c(cccn1)CCl PB28159 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 Cc1c(cccn1)CN AB14093 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 Cc1c(cccn1)CO AB01512 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.15 Cc1c(cccn1)OC AB03569 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.15 Cc1c(nccn1)C#N AB48635 [2,0,0,0,0,0|1,0,1]=4 74 B9R1.15 Cc1c(nccn1)C=O PB13166 [2,0,0,0,0,0|1,0,1]=4 75 B9R1.15 Cc1c(nccn1)CCl PB22746 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.15 Cc1c(nccn1)CN PB38635 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.15 Cc1c(nccn1)CO PB22269 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.15 Cc1cccnc1CCl PB32645 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.15 Cc1cccnc1CN AB20671 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.15 Cc1cccnc1CO AB12590 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.15 Cc1cccnc1OC AB31414 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.15 c1cc(c(nc1)CN)O MB01728 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.15 c1cc(c(nc1)CO)O MB00702 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.15 c1cc(c(nc1)O)CO AB52938 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.15 c1cnc(c(n1)CN)N AB53146 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.13 CCOc1c(c(ccn1)C)Br AB68546 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.17 Cc1c(cccn1)CCCN AB66944 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.81 CCOc1c(cc(cn1)Br)F AB40985 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.81 CCOc1c(cc(cn1)Br)I AB31057 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.81 CCOc1c(cc(cn1)Br)N AB40966 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.81 CCOc1c(cc(cn1)Cl)F AB41060 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.81 CCOc1c(cc(cn1)Cl)N AB41041 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.81 CCOc1c(cc(cn1)N)F AB40828 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.86 CC(C)Oc1c(nccn1)Cl MB13976 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.182 CCOc1c(ncc(n1)Br)N MB06257 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.37 CCc1cc(ccc1OC)O MB13572 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.37 CCc1ccc(cc1CC)O MB23941 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.37 CCc1ccc(cc1OC)O MB23954 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.37 CNc1c(nc(cn1)Br)OC MB19790 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.37 CNc1cc(cnc1OC)Br AB40963 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.37 COc1c(cc(cn1)Br)CN PB27036 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.37 COc1c(cc(cn1)Br)CO PB19176 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.37 COc1c(cc(cn1)F)CN AB74754 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.37 COc1c(ncc(n1)Cl)C=O AB60447 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.37 Cc1cnc(c(n1)OC)C=O AB60450 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.53 CC(=O)c1cccnc1OC AB64711 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.53 CC(C)c1cccnc1CO AB65913 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.53 CC(c1cccnc1OC)N AB67098 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.53 COc1c(nccn1)C(=O)O AB60438 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.265 CCc1c(cccc1OC)O MB23601 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.265 CCc1cccc(c1CC)O MB24051 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.265 CCc1cccc(c1OC)O MB24065 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.51 CCc1cc(ccc1OC(C)C)O MB23765 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.115 CCc1c(cccc1OC(C)C)O MB23607 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.2135 CCc1cccc(c1OC(C)C)O MB24072 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.3089 CCc1ccc(cc1OC(C)C)O MB23958 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.464 CCOC(=O)c1c(cccn1)CCl AB60067 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.464 CCOC(=O)c1cccnc1CBr MB09775 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.464 CCOC(=O)c1cccnc1CBr MB09844 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.464 CCOC(=O)c1cccnc1CCl AB60060 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.464 CCc1c(nncn1)C(=O)OCC AB72456 [0,2,0,0,0,0|1,0,0]=3 128 B13R1.381 CCOc1c(cccn1)[Si](C)(C)C AB25871 [0,2,0,0,0,0|1,1,0]=4 129 B11R1.199 CCOC(=O)C1=NC=CC1C PB29131 [0,0,1,1,0,0|1,0,0]=3 130 B11R1.199 CCOC(=O)C1=NC=CC1F PB32900 [0,0,1,1,0,0|2,0,0]=4 131 B11R1.199 CCOC(=O)C1=NC=CC1N PB10388 [0,0,1,1,0,0|2,0,0]=4 132 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [1,0,0,1,0,0|2,0,0]=4 133 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [1,0,0,1,0,0|2,0,0]=4 134 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [1,0,0,1,0,0|2,0,0]=4 135 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [1,0,0,1,0,0|2,0,0]=4 136 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [1,0,0,1,0,0|2,0,0]=4 137 B11R2.106 c1cnc(c2c1CCO2)N AB52904 [1,0,0,1,0,0|2,0,0]=4 138 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [1,0,0,1,0,0|2,0,0]=4 139 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [1,0,0,1,0,0|2,0,0]=4 140 B11R2.18 C1CCNC2=CCN=C2C1 AB43880 [0,0,0,1,1,0|1,0,1]=4 141 B11R2.18 c1coc2c1NCCCC2 AB43876 [0,0,0,1,1,0|2,0,0]=4 142 B11R2.18 c1csc2c1NCCCC2 AB43874 [0,0,0,1,1,0|2,0,0]=4 143 B13R2.222 CC1(CNc2c(cccn2)O1)C AB70680 [0,1,0,1,0,0|2,0,0]=4 144 B13R2.621 CCc1c(cccn1)OC2CC2 MB48723 [0,1,0,1,0,0|1,0,0]=3 145 B13R2.621 CCc1ccccc1OC2CC2 MB25867 [0,1,0,1,0,0|2,0,0]=4 146 B13R2.621 CNc1c(cccn1)OC2CC2 MB36945 [0,1,0,1,0,0|2,0,0]=4 147 B13R2.621 COc1c(cccn1)OC2CC2 MB38283 [0,1,0,1,0,0|2,0,0]=4 148 B13R2.621 CSc1c(cccn1)OC2CC2 MB33442 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.621 c1cc(c(nc1)CN)OC2CC2 MB36304 [0,1,0,1,0,0|2,0,0]=4 150 B13R2.57 c1ccc2c(c1)CCC(O2)CN AB60224 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.14 CCC1=C(C=NC1)CC AB43391 [1,0,0,0,1,0|2,0,0]=4