0 B11R1.37 CCc1cc(ccc1CN)O MB23752 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.37 CCc1cc(ccc1NC)O MB23761 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.37 CCc1cc(ccc1OC)O MB13572 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.37 CCc1cc(ccc1SC)O MB23769 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.37 CCc1ccc(cc1CC)O MB23941 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.37 CCc1ccc(cc1CN)O MB23942 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.37 CCc1ccc(cc1NC)O MB23952 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.37 CCc1ccc(cc1OC)O MB23954 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.37 CCc1ccc(cc1SC)O MB23964 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.37 CNc1c(nc(cn1)Br)OC MB19790 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.37 CNc1cc(cnc1OC)Br AB40963 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.37 COc1c(cc(cn1)Br)CN PB27036 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.37 COc1c(cc(cn1)Br)CO PB19176 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.37 COc1c(cc(cn1)F)CN AB74754 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.37 COc1c(ncc(n1)Cl)C=O AB60447 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.37 Cc1cnc(c(n1)OC)C=O AB60450 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.20 COc1c(cccn1)CCl AB54482 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.20 COc1c(cccn1)CN PB10680 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.20 COc1c(cccn1)CN PB15194 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.20 COc1c(cccn1)CO PB20446 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.20 COc1c(nccn1)C#N AB22503 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.20 COc1c(nccn1)C=O AB55611 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.20 COc1c(nncn1)CN PB39100 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.20 COc1cccnc1CCl AB60052 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.20 COc1cccnc1CN AB40619 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.20 COc1cccnc1CO MB05449 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.20 COc1cccnc1OC AB13430 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.20 CSc1c(cccn1)CO MB07043 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.20 c1cc(c(nc1)CCl)CCl AB60050 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.25 CCc1ccc(nc1N)C AB03677 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.25 Cc1c(ccc(n1)Br)CCl AB69339 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.25 Cc1c(ccc(n1)Br)CN AB69340 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.25 Cc1c(ccc(n1)Cl)CN AB74568 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.25 Cc1c(ncc(n1)Br)C#N AB72506 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.25 Cc1c(ncc(n1)Br)C=O AB85714 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.25 Cc1c(ncc(n1)Br)OC AB85717 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.25 Cc1c(ncc(n1)Cl)C#N AB72505 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.25 Cc1c(ncc(n1)Cl)C=O AB85687 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.25 Cc1c(ncc(n1)Cl)CCl AB76483 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.25 Cc1c(ncc(n1)Cl)CN AB85686 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.25 Cc1cc(c(nc1)C#N)C AB22974 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.25 Cc1cc(c(nc1)CCl)Cl AB75094 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.25 Cc1cc(c(nc1)CCl)F AB76356 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.25 Cc1cc(cnc1CCl)Cl AB75121 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.25 Cc1cc(cnc1CCl)F AB74796 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.25 Cc1cc(cnc1CN)Br AB41237 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.25 Cc1cc(cnc1CN)Cl AB75120 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.25 Cc1cc(cnc1CN)F AB41242 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.25 Cc1cc(cnc1OC)N AB20996 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.25 Cc1ccc(c(n1)Br)CN AB68158 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.25 Cc1ccc(c(n1)Cl)CN AB23323 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.25 Cc1ccc(c(n1)N)CCl AB76121 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.25 Cc1cnc(c(n1)C)CN AB73102 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.25 Cc1cnc(c(n1)Cl)C#N AB60457 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.25 c1c(nc(c(n1)CCl)N)Cl AB85693 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.30 COc1c(ncc(n1)Br)Br AB54782 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.30 COc1c(ncc(n1)Br)Cl AB72501 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.30 COc1c(ncc(n1)Br)N AB44806 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.30 COc1c(ncc(n1)Cl)N AB64255 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.30 Cc1c(cc(cn1)Cl)CN AB62431 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.30 Cc1cc(c(nc1)Br)CCl AB71047 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.30 Cc1cc(c(nc1)Cl)CCl AB71113 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.30 Cc1cc(c(nc1)F)CCl AB71237 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.30 Cc1cc(c(nc1)N)CCl AB70870 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.30 Cc1ccc(c(n1)CN)Br AB68170 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.30 Cc1ccc(c(n1)CN)Cl AB68153 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.30 Cc1ccc(nc1C#N)C AB25377 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.30 Cc1ccc(nc1C=O)C AB75403 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.30 Cc1ccc(nc1CCl)C AB75390 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.30 Cc1ccc(nc1CCl)Cl AB75115 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.30 Cc1ccc(nc1CCl)F AB82887 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.30 Cc1ccc(nc1CN)C AB65466 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.30 Cc1ccc(nc1CN)Cl AB75112 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.30 Cc1ccc(nc1CN)F AB82890 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.30 Cc1cnc(c(n1)CCl)C AB76280 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.30 Cc1cnc(c(n1)CN)C AB77043 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.30 c1c(nc(c(n1)N)CCl)Cl AB85695 [1,0,0,0,0,0|3,0,0]=4 104 B12R1.46 CCc1ccc(cc1C(C)C)O MB23928 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.46 Cc1cc(c(nc1)OC)C(=O)C AB70471 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.57 CCc1cc(ccc1C(C)C)O MB23739 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.57 CN(C)c1c(nc(cn1)Br)OC MB19785 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.78 COc1cc(c(nc1)CCl)OC AB74696 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.78 COc1cc(c(nc1)CN)OC AB74699 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.78 COc1cnc(c(n1)OC)C=O AB60453 [0,1,0,0,0,0|2,0,1]=4 111 B12R2.24 Cc1cc2c(nc1)CCNC2 AB50085 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.24 Cc1cc2c(nc1)CNCC2 AB73904 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.24 Cc1ccc2c(n1)CCCN2 AB76272 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.24 Cc1ccc2c(n1)CCNC2 AB68625 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.24 Cc1ccc2c(n1)CNCC2 AB70133 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.24 Cc1ccc2c(n1)NCCC2 AB29056 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.24 Cc1ccc2c(n1)NCCO2 AB29049 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.24 Cc1cnc2c(n1)CCNC2 AB73936 [0,0,0,1,0,0|1,0,0]=2 122 B12R2.24 Cc1ncc2c(n1)CCNC2 AB49580 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.24 c1c(cnc2c1CCCN2)Br AB54509 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.24 c1c(cnc2c1CCCO2)Br AB71711 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.24 c1c(cnc2c1CCNC2)Br PB15141 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.24 c1c(cnc2c1CCNC2)Cl AB68785 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.24 c1c(cnc2c1CCNC2)F AB68784 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.24 c1c(cnc2c1CNCC2)Br PB26297 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.24 c1c(cnc2c1CNCC2)Cl AB57080 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.24 c1c(cnc2c1CNCC2)F AB68762 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.24 c1c(cnc2c1CNCC2)O AB44464 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.24 c1c(cnc2c1COCC2)Br AB68708 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.24 c1c(cnc2c1COCC2)Cl AB68766 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.24 c1c(cnc2c1COCC2)F AB68764 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 c1c(cnc2c1COCC2)N AB66643 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.24 c1c(cnc2c1NCCC2)Br AB75329 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.24 c1c(cnc2c1NCCC2)Cl AB74836 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 c1c(nc2c(n1)CCNC2)Cl AB73934 [0,0,0,1,0,0|2,0,0]=3 139 B12R2.24 c1c(nc2c(n1)CNCC2)Br AB77044 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.24 c1c(nc2c(n1)CNCC2)Cl AB73933 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.24 c1cc(nc2c1CCCC2)O AB62868 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.24 c1cc(nc2c1CCNC2)Cl AB68870 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.24 c1cc(nc2c1CNCC2)Br AB51055 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.24 c1cc(nc2c1CNCC2)Cl AB56356 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.24 c1cc(nc2c1CNCC2)N AB64766 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.24 c1cc(nc2c1COCC2)Cl AB73482 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.24 c1cc(nc2c1COCC2)N AB73486 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.24 c1cc(nc2c1NCCC2)Br AB76592 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.24 c1cc(nc2c1NCCC2)Cl AB75331 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.132 c1c(cnc2c1C(CC2)N)Br AB70101 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.132 c1c(cnc2c1C(CC2)N)Cl AB70104 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.612 c1cc(nc2c1C(CC2)N)Cl AB70096 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.15 CCc1c(cccn1)Br AB68544 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.15 CCc1c(cccn1)O MB01433 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 CNc1c(nccn1)Cl MB13992 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.15 COc1c(nccn1)Cl MB02506 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.15 COc1c(nccn1)N AB22450 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.15 Cc1c(cccn1)CBr PB19196 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.15 Cc1c(cccn1)CCl AB51469 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.15 Cc1c(cccn1)CCl PB28159 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.15 Cc1c(cccn1)CN AB14093 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.15 Cc1c(cccn1)CO AB01512 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.15 Cc1c(cccn1)OC AB03569 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.15 Cc1c(nccn1)C#N AB48635 [2,0,0,0,0,0|1,0,1]=4 171 B9R1.15 Cc1c(nccn1)C=O PB13166 [2,0,0,0,0,0|1,0,1]=4 172 B9R1.15 Cc1c(nccn1)CCl PB22746 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.15 Cc1c(nccn1)CN PB38635 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.15 Cc1c(nccn1)CO PB22269 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.15 Cc1cccnc1CCl PB32645 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.15 Cc1cccnc1CN AB20671 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.15 Cc1cccnc1CO AB12590 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.15 Cc1cccnc1OC AB31414 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.15 c1cnc(c(n1)CN)N AB53146 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 CCc1ccc(cn1)N AB63590 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 CCc1ccc(cn1)O MB03842 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 CCc1ccc(nc1)Br MB10294 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 CCc1cnc(cn1)Br AB64001 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.1 CCc1cnc(cn1)Cl AB73111 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.1 CCc1cnc(cn1)N AB60527 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.1 CNc1cnc(cn1)Br MB08140 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.1 COc1cnc(cn1)Br PB10528 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.1 COc1cnc(cn1)Cl PB22219 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.1 COc1cnc(cn1)I AB75719 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 COc1cnc(cn1)N PB26534 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 CSc1cnc(cn1)Br MB07628 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 CSc1cnc(cn1)N AB43836 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 Cc1ccc(cn1)CCl AB59938 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.1 Cc1ccc(cn1)CN PB20145 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 Cc1ccc(cn1)OC AB52739 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.1 Cc1ccc(nc1)CCl AB59994 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 Cc1ccc(nc1)CN AB48926 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 Cc1cnc(cn1)C#N AB20698 [2,0,0,0,0,0|1,0,1]=4 202 B9R1.1 Cc1cnc(cn1)C=O PB23818 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.1 Cc1cnc(cn1)CCl PB10823 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.1 Cc1cnc(cn1)CN PB33936 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.1 c1c(ncc(n1)Cl)CCl AB60493 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.69 Cc1c(nc(cn1)Br)N AB85726 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.69 Cc1c(nc(cn1)Cl)C AB68573 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.69 Cc1c(nc(cn1)N)Br CB11882 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.69 Cc1c(nc(cn1)N)C AB53106 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.69 Cc1c(ncc(n1)Br)Br AB72476 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.69 Cc1c(ncc(n1)Br)Cl AB72492 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.69 Cc1c(ncc(n1)Br)I AB72495 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.69 Cc1c(ncc(n1)Br)N AB48639 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.69 Cc1c(ncc(n1)Br)O AB85718 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.69 Cc1c(ncc(n1)Cl)Br AB72477 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.69 Cc1c(ncc(n1)Cl)Cl AB70649 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.69 Cc1c(ncc(n1)Cl)F AB85699 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.69 Cc1c(ncc(n1)Cl)I AB72504 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.69 Cc1c(ncc(n1)Cl)N AB54525 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.69 Cc1c(ncc(n1)F)Br AB85703 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.69 Cc1c(ncc(n1)F)Cl AB85700 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.69 Cc1c(ncc(n1)I)Br AB72480 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.69 Cc1c(ncc(n1)N)Br AB48621 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.69 Cc1c(nnc(n1)C)Cl AB72440 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.69 Cc1cc(cnc1C)Br AB64498 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.69 Cc1cc(cnc1C)N AB42833 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.69 Cc1cc(cnc1C)O AB65534 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.69 Cc1ccc(nc1Br)C AB65454 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.69 Cc1ccc(nc1C)Br AB64947 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.69 Cc1ccc(nc1C)N AB23050 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.69 Cc1ccc(nc1C)O AB54521 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.69 Cc1ccc(nc1N)C AB25382 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.69 Cc1ccc(nc1O)C AB71286 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.69 Cc1cnc(c(n1)Br)C AB65522 [2,0,0,0,0,0|1,0,0]=3 246 B9R1.69 Cc1cnc(c(n1)Br)N CB11261 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.69 Cc1cnc(c(n1)C)Br AB73101 [2,0,0,0,0,0|1,0,0]=3 248 B9R1.69 Cc1cnc(c(n1)C)Cl AB03542 [2,0,0,0,0,0|1,0,0]=3 249 B9R1.69 Cc1cnc(c(n1)C)N AB03436 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.69 Cc1cnc(c(n1)Cl)C AB00609 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.2 CCc1cc(cnc1)Br PB34416 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.2 CCc1cc(cnc1)O MB12329 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.2 CCc1cccc(n1)Br MB10338 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.2 CNc1cncc(n1)Cl MB07975 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.2 COc1cncc(n1)Cl PB29367 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.2 COc1cncc(n1)N AB54770 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.2 Cc1cc(cnc1)CCl AB55820 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.2 Cc1cc(cnc1)CN AB23459 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.2 Cc1cc(cnc1)CO PB10532 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.2 Cc1cc(cnc1)OC AB64998 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.2 Cc1cccc(n1)CCl AB49651 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.2 Cc1cccc(n1)CN AB22796 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.2 Cc1cccc(n1)NC AB60602 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.2 Cc1cncc(n1)C=O AB62637 [2,0,0,0,0,0|1,0,1]=4 265 B9R1.2 Cc1cncc(n1)CCl AB60498 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.2 Cc1cncc(n1)CN AB72296 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [2,0,0,0,0,0|2,0,0]=4 272 B11R1.41 COc1c(cccn1)CCN AB45444 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.53 CC(C)c1cccnc1CO AB65913 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.53 CC(c1cccnc1OC)N AB67098 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.265 CCc1cccc(c1CC)O MB24051 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.81 Cc1c(ccc(n1)Cl)CCN AB85389 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.81 Cc1cc(cnc1CCN)Cl AB83241 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.81 Cc1cc(cnc1CCN)F AB82903 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)C AB85683 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.279 Cc1c(ncc(n1)OC)C#N AB85677 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.279 Cc1c(ncc(n1)OC)C=O AB85667 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.279 Cc1c(ncc(n1)OC)CCl AB85673 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.279 Cc1c(ncc(n1)OC)CN AB85675 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.167 Cc1ccc(nc1C(=O)C)C AB74573 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.167 Cc1cnc(c(n1)C(=O)C)C AB02268 [1,1,0,0,0,0|0,0,1]=3 292 B11R1.182 CCOc1c(ncc(n1)Br)N MB06257 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.182 Cc1cc(c(nc1)Cl)CCN AB83239 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.182 Cc1cc(c(nc1)F)CCN AB55183 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.280 CCc1c(ccc(n1)OC)Br AB68537 [1,1,0,0,0,0|2,0,0]=4 300 B13R1.2209 Cc1cnc(c(n1)C(=O)OC)CBr AB74376 [0,2,0,0,0,0|1,0,1]=4 301 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [1,0,0,1,0,0|2,0,0]=4 302 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [1,0,0,1,0,0|2,0,0]=4 303 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [1,0,0,1,0,0|2,0,0]=4 304 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [1,0,0,1,0,0|2,0,0]=4 305 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [1,0,0,1,0,0|1,0,0]=3 306 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [1,0,0,1,0,0|2,0,0]=4 307 B11R2.36 Cc1ccc2c(n1)CNC2 AB74756 [1,0,0,1,0,0|2,0,0]=4 308 B11R2.36 c1c(nc2c(n1)CCN2)Cl AB85069 [1,0,0,1,0,0|2,0,0]=4 309 B11R2.36 c1c(nc2c(n1)CNC2)Cl AB77193 [1,0,0,1,0,0|2,0,0]=4 310 B11R2.36 c1c(nc2c(n1)NCC2)Br AB85721 [1,0,0,1,0,0|2,0,0]=4 311 B11R2.10 C1CCc2c(nc(o2)N)C1 AB66266 [0,0,0,1,1,0|2,0,0]=4 312 B11R2.10 C1CCc2c(nc(s2)N)C1 AB03364 [0,0,0,1,1,0|2,0,0]=4 313 B11R2.10 Cc1[nH]c2c(n1)CCNC2 AB39269 [0,0,0,1,1,0|1,0,1]=4 314 B11R2.10 Cc1nc2c(o1)CCNC2 AB27777 [0,0,0,1,1,0|2,0,0]=4 315 B11R2.10 Cc1nc2c(o1)CNCC2 AB27327 [0,0,0,1,1,0|2,0,0]=4 316 B11R2.10 Cc1nc2c(s1)CNCC2 AB27325 [0,0,0,1,1,0|2,0,0]=4 317 B11R2.10 Cn1cc2c(n1)CCNC2 AB55832 [0,0,0,1,1,0|2,0,0]=4 318 B13R2.162 Cc1cc2c(nc1)CCCC2=O AB08509 [0,1,0,1,0,0|1,0,1]=4 319 B13R2.162 Cc1cc2c(nc1)CCCC2N MB69197 [0,1,0,1,0,0|1,0,0]=3 320 B13R2.162 Cc1ccc2c(c1)C(CCC2)N AB38432 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.162 Cc1ccc2c(c1)[C@@H](CCC2)N AB38434 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.162 Cc1ccc2c(c1)[C@H](CCC2)N AB38436 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.5179 Cc1cc2c(nc1)C(=O)CCC2 AB68943 [0,1,0,1,0,0|1,0,1]=4 324 B13R2.5179 Cc1ccc2c(n1)CCCC2=O AB68917 [0,1,0,1,0,0|1,0,1]=4 325 B13R2.57 COc1cc2c(nc1)CCNC2 AB68781 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.57 COc1cc2c(nc1)CNCC2 AB73901 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.57 COc1ccc2c(n1)CCCN2 AB77005 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.57 COc1ccc2c(n1)CCNC2 AB55063 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.57 COc1ccc2c(n1)CCOC2 AB73484 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.57 COc1ccc2c(n1)CNCC2 AB70130 [0,1,0,1,0,0|2,0,0]=4 331 B13R2.57 COc1cnc2c(n1)CCNC2 AB73937 [0,1,0,1,0,0|1,0,0]=3 332 B13R2.57 c1c(cnc2c1COCC2)CCl AB68773 [0,1,0,1,0,0|2,0,0]=4 333 B13R2.57 c1c(cnc2c1COCC2)CN AB68771 [0,1,0,1,0,0|2,0,0]=4 334 B13R2.57 c1c2c(nc(n1)CCl)CCCC2 AB59443 [0,1,0,1,0,0|2,0,0]=4 335 B13R2.57 c1c2c(nc(n1)CN)CCCC2 AB63336 [0,1,0,1,0,0|2,0,0]=4 336 B13R2.57 c1cc(nc2c1CCCN2)CN AB19929 [0,1,0,1,0,0|2,0,0]=4 337 B13R2.57 c1cc(nc2c1CNCC2)CO MB10673 [0,1,0,1,0,0|2,0,0]=4 338 B13R2.2130 COc1ccc2c(n1)CCC2N AB70097 [0,1,0,1,0,0|2,0,0]=4 339 B13R2.3683 Cc1ccc2c(n1)CCC(=O)C2 AB61021 [0,1,0,1,0,0|1,0,1]=4 340 B13R2.328 Cc1nc2c(c(n1)Cl)CCCC2 AB65895 [0,1,0,1,0,0|2,0,0]=4 341 B13R2.155 Cc1cc2c(nc1)CCC(=O)C2 AB61018 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.14 CCC1=C(C=NC1)CC AB43391 [1,0,0,0,1,0|2,0,0]=4 343 B9R1.22 Cc1c(cn(n1)C)CCl AB72467 [1,0,0,0,1,0|2,0,0]=4 344 B9R1.22 Cc1c(cn(n1)C)CN AB10627 [1,0,0,0,1,0|2,0,0]=4 345 B9R1.22 Cc1c(cn(n1)C)CO AB11625 [1,0,0,0,1,0|2,0,0]=4 346 B9R1.22 Cc1c(nc(s1)C)CO AB62860 [1,0,0,0,1,0|2,0,0]=4 347 B9R1.22 Cc1c(oc(n1)C)CO MB08849 [1,0,0,0,1,0|2,0,0]=4 348 B9R1.22 Cc1c(sc(n1)C)CN MB08333 [1,0,0,0,1,0|2,0,0]=4 349 B9R1.22 Cc1cc(n(n1)C)CCl PB10408 [1,0,0,0,1,0|2,0,0]=4 350 B9R1.22 Cc1cc(n(n1)C)CN PB17288 [1,0,0,0,1,0|2,0,0]=4 351 B9R1.22 Cc1cc(n(n1)C)CO PB29211 [1,0,0,0,1,0|2,0,0]=4 352 B9R1.132 Cc1cnc(n1C)CCl AB70176 [1,0,0,0,1,0|2,0,0]=4 353 B9R1.132 Cc1cnc(n1C)CN AB70180 [1,0,0,0,1,0|2,0,0]=4 354 B9R1.27 CCn1c(nnc1C)C AB51154 [1,0,0,0,1,0|2,0,0]=4