0 B11R2.1 CC1=NN=C2=NC=CN=C12 PB26901 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,0,0,0|2,0,1]=3 2 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 Cn1ccc2c1nccc2 AB51139 [0,0,0,0,0,0|2,0,2]=4 4 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,0,0,0|2,0,0]=2 7 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,0,0,0|3,0,0]=3 14 B10R2.7 c1c2c(ncn1)CNC2 PB18873 [1,0,0,0,0,0|3,0,0]=4 15 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [1,0,0,0,0,0|3,0,0]=4 16 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [1,0,0,0,0,0|2,0,0]=3 17 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,0,0,0|2,0,0]=3 18 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,0,0,0|3,0,0]=4 19 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [1,0,0,0,0,0|1,0,1]=3 20 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,0,0,0|1,0,0]=2 21 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [1,0,0,0,0,0|1,0,0]=2 22 B10R2.7 c1nc2=NCC=c2nn1 AB72444 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,1,0,0,0,0|2,0,0]=3 24 B12R2.1 CNC1CCc2c1cccn2 AB70125 [0,1,0,0,0,0|1,0,0]=2 25 B12R2.1 CNC1COc2c1cccn2 AB70122 [0,1,0,0,0,0|2,0,0]=3 26 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [0,1,0,0,0,0|2,0,1]=4 28 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,1,0,0,0,0|2,0,0]=3 29 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.132 CC1=c2cc(cnc2=NC1)Br PB21371 [0,1,0,0,0,0|2,0,1]=4 31 B12R2.132 CC1=c2cc(cnc2=NC1)Cl PB11666 [0,1,0,0,0,0|2,0,1]=4 32 B12R2.132 CC1=c2cc(cnc2=NC1)N PB33519 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.132 c1c(cnc2c1C(=O)CC2)Br AB70093 [0,1,0,0,0,0|2,0,1]=4 38 B12R2.132 c1c(cnc2c1C(=O)CC2)Cl AB70090 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.132 c1c(cnc2c1C(CC2)N)Br AB70101 [0,1,0,0,0,0|2,0,0]=3 40 B12R2.132 c1c(cnc2c1C(CC2)N)Cl AB70104 [0,1,0,0,0,0|2,0,0]=3 41 B12R2.132 c1c(nc2c(n1)N=NC2N)Br PB15300 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,0,0,0|3,0,0]=4 44 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,0,0,0|3,0,0]=4 45 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,0,0,0|3,0,0]=4 46 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,0,0,0|3,0,0]=4 47 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,0,0,0|3,0,0]=4 49 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,0,0,0|3,0,0]=4 50 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,1,0,0,0,0|3,0,0]=4 63 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,1,0,0,0,0|3,0,0]=4 64 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.203 CC1=c2c(ccnc2=NC1)Br PB38010 [0,1,0,0,0,0|2,0,1]=4 66 B12R2.203 CC1=c2c(ccnc2=NC1)Cl PB24207 [0,1,0,0,0,0|2,0,1]=4 67 B12R2.203 CC1=c2c(ccnc2=NC1)N PB35533 [0,1,0,0,0,0|2,0,1]=4 68 B12R2.612 CC1=c2c(=NC1)cc(cn2)Br PB37121 [0,1,0,0,0,0|2,0,1]=4 69 B12R2.612 CC1=c2ccc(nc2=NC1)Cl PB16760 [0,1,0,0,0,0|2,0,1]=4 70 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,0,0,0|3,0,0]=4 71 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,0,0,0|3,0,0]=4 72 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,0,0,0|3,0,0]=4 73 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,0,0,0|3,0,0]=4 74 B12R2.612 c1cc(nc2c1C(=O)CC2)Br AB70085 [0,1,0,0,0,0|2,0,1]=4 75 B12R2.612 c1cc(nc2c1C(=O)CC2)Cl AB64289 [0,1,0,0,0,0|2,0,1]=4 76 B12R2.612 c1cc(nc2c1C(CC2)N)Cl AB70096 [0,1,0,0,0,0|2,0,0]=3 77 B12R2.612 c1cc(nc2c1C(CO2)N)Cl AB70110 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,0,0,0|3,0,0]=4 80 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,0,0,0|3,0,0]=4 81 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,0,0,0|3,0,0]=4 82 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,0,0,0|3,0,0]=4 83 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,0,0,0|3,0,0]=4 85 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,0,0,0|3,0,0]=4 86 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,0,0,0|3,0,0]=4 87 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,0,0,0|3,0,0]=4 88 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,0,0,0|3,0,0]=4 89 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.15 CC(c1cccnc1)NC CB11165 [0,0,1,0,0,0|2,0,0]=3 92 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,1,0,0,0|2,0,1]=4 93 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,0,1,0,0,0|1,0,1]=3 94 B10R1.15 CCC(c1cnccn1)N PB31632 [0,0,1,0,0,0|1,0,0]=2 95 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,0,1,0,0,0|2,0,1]=4 96 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,0,1,0,0,0|2,0,1]=4 97 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,0,1,0,0,0|3,0,0]=4 98 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,0,1,0,0,0|3,0,0]=4 99 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,0,1,0,0,0|3,0,0]=4 100 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,0,1,0,0,0|3,0,0]=4 101 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,0,1,0,0,0|3,0,0]=4 102 B10R1.17 CNCCc1cccnc1 AB10676 [0,0,1,0,0,0|2,0,0]=3 103 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,0,1,0,0,0|2,0,1]=4 104 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,0,1,0,0,0|2,0,0]=3 105 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,0,1,0,0,0|3,0,0]=4 106 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,0,1,0,0,0|2,0,1]=4 107 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,0,1,0,0,0|2,0,0]=3 108 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,0,1,0,0,0|2,0,0]=3 109 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,0,1,0,0,0|3,0,0]=4 110 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,0,1,0,0,0|1,0,1]=3 111 B10R1.20 COc1c(cccn1)CCl AB54482 [0,0,1,0,0,0|3,0,0]=4 112 B10R1.20 COc1c(cccn1)CN PB10680 [0,0,1,0,0,0|3,0,0]=4 113 B10R1.20 COc1c(cccn1)CN PB15194 [0,0,1,0,0,0|3,0,0]=4 114 B10R1.20 COc1c(cccn1)CO PB20446 [0,0,1,0,0,0|3,0,0]=4 115 B10R1.20 COc1c(nccn1)C#N AB22503 [0,0,1,0,0,0|2,0,1]=4 116 B10R1.20 COc1c(nccn1)C=O AB55611 [0,0,1,0,0,0|2,0,1]=4 117 B10R1.20 COc1c(nncn1)CN PB39100 [0,0,1,0,0,0|3,0,0]=4 118 B10R1.20 COc1cccnc1CCl AB60052 [0,0,1,0,0,0|3,0,0]=4 119 B10R1.20 COc1cccnc1CN AB40619 [0,0,1,0,0,0|3,0,0]=4 120 B10R1.20 COc1cccnc1CO MB05449 [0,0,1,0,0,0|3,0,0]=4 121 B10R1.20 COc1cccnc1OC AB13430 [0,0,1,0,0,0|3,0,0]=4 122 B10R1.20 CSc1c(cccn1)CO MB07043 [0,0,1,0,0,0|3,0,0]=4 123 B10R1.20 c1cc(c(nc1)CCl)CCl AB60050 [0,0,1,0,0,0|3,0,0]=4 124 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [0,0,1,0,0,0|3,0,0]=4 125 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [0,0,1,0,0,0|3,0,0]=4 126 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,0,1,0,0,0|2,0,1]=4 127 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,0,1,0,0,0|2,0,1]=4 128 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,0,1,0,0,0|2,0,0]=3 129 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [0,0,1,0,0,0|1,0,0]=2 130 B10R1.61 CC(C)c1cncnc1Cl AB55647 [0,0,1,0,0,0|3,0,0]=4 131 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,0,1,0,0,0|3,0,0]=4 132 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,0,1,0,0,0|3,0,0]=4 133 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,0,1,0,0,0|3,0,0]=4 134 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,0,1,0,0,0|3,0,0]=4 135 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,0,1,0,0,0|3,0,0]=4 136 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [0,0,1,0,0,0|2,0,0]=3 137 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,0,1,0,0,0|2,0,1]=4 138 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,0,1,0,0,0|1,0,0]=2 139 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,0,1,0,0,0|2,0,0]=3 140 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,0,1,0,0,0|2,0,1]=4 141 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,0,0,1|3,0,0]=4 142 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,0,0,1|3,0,0]=4 143 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,0,0,1|3,0,0]=4 144 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,0,0,1|3,0,0]=4 145 B12R2.24 c1c2c(ncn1)CC(CC2)N AB61113 [0,0,0,0,0,1|3,0,0]=4 146 B12R2.24 c1c2c(ncn1)CCC(C2)N AB45337 [0,0,0,0,0,1|3,0,0]=4 147 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,0,0,1|2,0,1]=4 148 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,0,0,0,0,1|2,0,0]=3 149 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,0,0,0,0,1|2,0,1]=4 150 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,0,0,1|3,0,0]=4 151 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,0,0,0,0,1|2,0,0]=3 152 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [0,0,0,0,0,1|2,0,1]=4 153 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,0,0,0,0,1|2,0,1]=4 154 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,0,0,0,0,1|2,0,1]=4 155 B12R2.1081 c1cc2c(nc1)C(CCC2)N MB05927 [0,0,0,0,0,1|2,0,0]=3 156 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,0,0,0,0,1|2,0,1]=4 157 B12R2.1081 c1cc2c(nc1)CCCC2N PB24835 [0,0,0,0,0,1|2,0,0]=3 158 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,0,0,0,0,1|2,0,1]=4 159 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,0,0,0,0,1|2,0,1]=4 160 B12R2.1081 c1cc2c(nc1)OCCC2N AB70317 [0,0,0,0,0,1|2,0,0]=3 161 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,0,0,0,0,1|3,0,0]=4 162 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,0,0,0,0,1|3,0,0]=4 163 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,0,0,0,0,1|3,0,0]=4 164 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,0,0,0,0,1|3,0,0]=4 165 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,0,0,0,0,1|3,0,0]=4 166 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,0,0,0,0,1|3,0,0]=4 167 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,0,0,0,0,1|3,0,0]=4 168 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,1,0,0,0|1,0,1]=4 170 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,1,0,0,0|1,0,0]=3 171 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,1,0,0,0|2,0,0]=4 172 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,1,0,0,0|2,0,0]=4 173 B9R1.6 CC(c1cnccn1)N PB14922 [1,0,1,0,0,0|1,0,0]=3 174 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,1,0,0,0|2,0,0]=4 175 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,1,0,0,0|2,0,0]=4 176 B9R1.8 CNCc1ccccn1 AB10674 [1,0,1,0,0,0|2,0,0]=4 177 B9R1.8 CNCc1cccnc1 AB01384 [1,0,1,0,0,0|2,0,0]=4 178 B9R1.8 CNCc1cnccn1 PB18749 [1,0,1,0,0,0|1,0,0]=3 179 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,1,0,0,0|2,0,0]=4 180 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,1,0,0,0|2,0,0]=4 181 B9R1.8 c1cnc(cn1)CC#N PB16294 [1,0,1,0,0,0|1,0,1]=4 182 B9R1.8 c1cnc(cn1)CC=O AB57650 [1,0,1,0,0,0|1,0,1]=4 183 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,1,0,0,0|1,0,0]=3 184 B9R1.8 c1cnc(cn1)CNN PB20222 [1,0,1,0,0,0|2,0,0]=4 185 B9R1.15 CCc1c(cccn1)Br AB68544 [1,0,1,0,0,0|2,0,0]=4 186 B9R1.15 CCc1c(cccn1)O MB01433 [1,0,1,0,0,0|2,0,0]=4 187 B9R1.15 CNc1c(nccn1)Cl MB13992 [1,0,1,0,0,0|2,0,0]=4 188 B9R1.15 COc1c(nccn1)Cl MB02506 [1,0,1,0,0,0|2,0,0]=4 189 B9R1.15 COc1c(nccn1)N AB22450 [1,0,1,0,0,0|2,0,0]=4 190 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,0,1,0,0,0|2,0,0]=4 191 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,0,1,0,0,0|2,0,0]=4 192 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,0,1,0,0,0|2,0,0]=4 193 B9R1.15 Cc1c(cccn1)CN AB14093 [1,0,1,0,0,0|2,0,0]=4 194 B9R1.15 Cc1c(cccn1)CO AB01512 [1,0,1,0,0,0|2,0,0]=4 195 B9R1.15 Cc1c(cccn1)OC AB03569 [1,0,1,0,0,0|2,0,0]=4 196 B9R1.15 Cc1c(nccn1)C#N AB48635 [1,0,1,0,0,0|1,0,1]=4 197 B9R1.15 Cc1c(nccn1)C=O PB13166 [1,0,1,0,0,0|1,0,1]=4 198 B9R1.15 Cc1c(nccn1)CCl PB22746 [1,0,1,0,0,0|1,0,0]=3 199 B9R1.15 Cc1c(nccn1)CN PB38635 [1,0,1,0,0,0|1,0,0]=3 200 B9R1.15 Cc1c(nccn1)CO PB22269 [1,0,1,0,0,0|1,0,0]=3 201 B9R1.15 Cc1cccnc1CCl PB32645 [1,0,1,0,0,0|2,0,0]=4 202 B9R1.15 Cc1cccnc1CN AB20671 [1,0,1,0,0,0|2,0,0]=4 203 B9R1.15 Cc1cccnc1CO AB12590 [1,0,1,0,0,0|2,0,0]=4 204 B9R1.15 Cc1cccnc1OC AB31414 [1,0,1,0,0,0|2,0,0]=4 205 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [1,0,1,0,0,0|2,0,0]=4 206 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [1,0,1,0,0,0|2,0,0]=4 207 B9R1.15 c1cnc(c(n1)CN)N AB53146 [1,0,1,0,0,0|2,0,0]=4 208 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,1,1,0,0,0|2,0,0]=4 210 B11R1.7 CC(C)(CN)c1cccnc1 AB65048 [0,1,1,0,0,0|2,0,0]=4 211 B11R1.16 CCCC(c1cnccn1)N AB27585 [0,1,1,0,0,0|1,0,0]=3 212 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,1,1,0,0,0|2,0,0]=4 213 B11R1.22 CCN(C)c1cnc(cn1)Br AB54275 [0,1,1,0,0,0|1,0,0]=3 214 B11R1.23 CCN(C)c1cccc(n1)Br AB54124 [0,1,1,0,0,0|2,0,0]=4 215 B11R1.1 CCCOc1cnc(cn1)Br AB54208 [0,1,1,0,0,0|1,0,0]=3 216 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [0,1,1,0,0,0|2,0,0]=4 217 B11R1.1 Cc1cnc(cn1)CCCN AB69908 [0,1,1,0,0,0|1,0,0]=3 218 B11R1.1 c1c(ncc(n1)Cl)CCCN AB69913 [0,1,1,0,0,0|1,0,0]=3 219 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [0,1,1,0,0,0|2,0,0]=4 221 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,1,1,0,0,0|2,0,0]=4 222 B11R1.17 Cc1ccncc1CCCN AB67853 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [0,1,1,0,0,0|2,0,0]=4 224 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [0,1,1,0,0,0|2,0,0]=4 225 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [0,1,1,0,0,0|2,0,0]=4 226 B11R1.17 c1cncc(c1F)CCCN AB68073 [0,1,1,0,0,0|2,0,0]=4 227 B11R1.24 CCCOc1cccc(n1)Br AB05235 [0,1,1,0,0,0|2,0,0]=4 228 B11R1.24 Cc1cccc(n1)CCCN AB55096 [0,1,1,0,0,0|2,0,0]=4 229 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [0,1,1,0,0,0|2,0,0]=4 230 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [0,1,1,0,0,0|2,0,0]=4 231 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [0,1,1,0,0,0|2,0,0]=4 232 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [0,1,1,0,0,0|2,0,0]=4 233 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [0,1,1,0,0,0|2,0,0]=4 234 B11R1.24 c1cnc(cc1F)CCCN AB68075 [0,1,1,0,0,0|2,0,0]=4 235 B11R1.28 CNCCCc1ccccc1 AB10671 [0,1,1,0,0,0|2,0,0]=4 236 B11R1.28 CNCCOc1ccccn1 AB60653 [0,1,1,0,0,0|2,0,0]=4 237 B11R1.28 c1ccc(cc1)CCCCN AB00942 [0,1,1,0,0,0|2,0,0]=4 238 B11R1.28 c1ccc(cc1)CCCCN AB13248 [0,1,1,0,0,0|2,0,0]=4 239 B11R1.28 c1ccnc(c1)OCCCN AB60652 [0,1,1,0,0,0|2,0,0]=4 240 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,1,1,0,0,0|1,0,1]=4 241 B11R1.37 CCc1ccc(cc1CC)O MB23941 [0,1,1,0,0,0|2,0,0]=4 242 B11R1.37 CNc1c(nc(cn1)Br)OC MB19790 [0,1,1,0,0,0|2,0,0]=4 243 B11R1.41 COc1c(cccn1)CCN AB45444 [0,1,1,0,0,0|2,0,0]=4 244 B11R1.53 CC(C)c1cccnc1CO AB65913 [0,1,1,0,0,0|2,0,0]=4 245 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,1,1,0,0,0|2,0,0]=4 246 B11R1.265 CCc1cccc(c1CC)O MB24051 [0,1,1,0,0,0|2,0,0]=4 247 B11R1.87 CC(C)(C)c1c(cccn1)O MB01150 [0,1,1,0,0,0|2,0,0]=4 248 B11R1.87 CC(C)(C)c1c(nccn1)Cl MB13968 [0,1,1,0,0,0|1,0,0]=3 249 B11R1.87 CC(C)(c1cccnc1Cl)N AB67370 [0,1,1,0,0,0|2,0,0]=4 250 B11R1.87 Cc1c(cccn1)C(C)(C)N AB66961 [0,1,1,0,0,0|1,0,0]=3 251 B11R1.156 Cc1cccc(c1C(C)C)O MB22300 [0,1,1,0,0,0|2,0,0]=4 252 B11R1.159 Cc1c(cccc1O)C(C)C MB22624 [0,1,1,0,0,0|2,0,0]=4 253 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)C AB85683 [0,1,1,0,0,0|1,0,1]=4 254 B11R1.167 Cc1ccc(cc1C(C)C)O MB22427 [0,1,1,0,0,0|2,0,0]=4 255 B11R1.167 Cc1cnc(c(n1)C(=O)C)C AB02268 [0,1,1,0,0,0|1,0,1]=4 256 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [1,1,0,0,0,0|2,0,0]=4 257 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [1,1,0,0,0,0|2,0,0]=4 258 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [1,1,0,0,0,0|2,0,0]=4 259 B11R2.36 Cc1ccc2c(n1)CNC2 AB74756 [1,1,0,0,0,0|2,0,0]=4 260 B11R2.36 c1c(cnc2c1CCN2)Br PB26222 [1,1,0,0,0,0|2,0,0]=4 261 B11R2.36 c1c(cnc2c1CNC2)Br PB11334 [1,1,0,0,0,0|2,0,0]=4 262 B11R2.36 c1c(cnc2c1CNC2)Cl AB74656 [1,1,0,0,0,0|2,0,0]=4 263 B11R2.36 c1c(cnc2c1NCC2)Br AB73731 [1,1,0,0,0,0|2,0,0]=4 264 B11R2.36 c1c(nc2=CCN=c2n1)Cl PB23882 [1,1,0,0,0,0|1,0,1]=4 265 B11R2.36 c1c(nc2=NCC=c2n1)Br PB16748 [1,1,0,0,0,0|1,0,1]=4 266 B11R2.36 c1c(nc2=NCC=c2n1)Cl PB33029 [1,1,0,0,0,0|1,0,1]=4 267 B11R2.36 c1c(nc2c(n1)CCN2)Cl AB85069 [1,1,0,0,0,0|1,0,0]=3 268 B11R2.36 c1c(nc2c(n1)CNC2)Cl AB77193 [1,1,0,0,0,0|1,0,0]=3 269 B11R2.36 c1c(nc2c(n1)NCC2)Br AB85721 [1,1,0,0,0,0|1,0,0]=3 270 B11R2.36 c1cc(nc2c1CNC2)Br AB76749 [1,1,0,0,0,0|2,0,0]=4 271 B11R2.36 c1cc(nc2c1CNC2)Cl PB22510 [1,1,0,0,0,0|2,0,0]=4 272 B11R2.36 c1cc(nc2c1NCC2)Br AB73732 [1,1,0,0,0,0|2,0,0]=4 273 B11R2.36 c1cc(nc2c1NCC2)Cl AB71540 [1,1,0,0,0,0|2,0,0]=4 274 B11R2.36 c1cc(nc2c1NCC2)F AB73742 [1,1,0,0,0,0|2,0,0]=4 275 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [1,1,0,0,0,0|2,0,0]=4 276 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [1,1,0,0,0,0|2,0,0]=4 277 B11R2.106 c1[nH]c(=O)c2c(n1)CCC2 PB13149 [1,1,0,0,0,0|2,0,0]=4 278 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [1,1,0,0,0,0|2,0,0]=4 279 B11R2.106 c1cnc2c(c1Br)CCN2 AB76365 [1,1,0,0,0,0|2,0,0]=4 280 B11R2.106 c1cnc2c(c1Br)CNC2 AB77102 [1,1,0,0,0,0|2,0,0]=4 281 B11R2.106 c1cnc2c(c1Cl)CNC2 AB74758 [1,1,0,0,0,0|2,0,0]=4 282 B11R2.106 c1cnc2c(c1I)CCN2 AB85220 [1,1,0,0,0,0|2,0,0]=4 283 B11R2.106 c1cnc2c(c1N)CNC2 AB77128 [1,1,0,0,0,0|2,0,0]=4 284 B11R2.106 c1nc2c(c(n1)Cl)CCC2 PB34729 [1,1,0,0,0,0|2,0,0]=4 285 B13R2.57 c1ccc2c(c1)CCC(C2)CN AB28261 [0,1,0,0,0,1|2,0,0]=4 286 B13R2.57 c1ccc2c(c1)CCC(O2)CN AB60224 [0,1,0,0,0,1|2,0,0]=4 287 B13R2.222 CC1(CNc2c(cccn2)O1)C AB70680 [0,1,0,0,0,1|2,0,0]=4 288 B13R2.342 CC1CNCc2c1cccc2Cl AB65683 [0,1,0,0,0,1|2,0,0]=4 289 B13R2.1613 CCC1CNCc2c1cccc2 MB06169 [0,1,0,0,0,1|2,0,0]=4 290 B13R2.1613 CNC1CCCc2c1cccc2 MB03780 [0,1,0,0,0,1|2,0,0]=4 291 B13R2.1613 c1ccc2c(c1)CCCC2CN AB11056 [0,1,0,0,0,1|2,0,0]=4 292 B13R2.3122 CC1(CCNc2c1cccc2)C MB10115 [0,1,0,0,0,1|2,0,0]=4 293 B13R2.3122 CC1(CNCc2c1cccc2)C MB05480 [0,1,0,0,0,1|2,0,0]=4 294 B13R2.3122 CC1(c2ccccc2CCN1)C AB62583 [0,1,0,0,0,1|2,0,0]=4 295 B13R2.1 c1ccc2c(c1)CCC2CC#N AB60218 [0,2,0,0,0,0|2,0,0]=4 296 B13R2.2136 CNC1CCc2c1cc(cc2)Br AB63992 [0,2,0,0,0,0|2,0,0]=4 297 B13R2.2136 CNC1CCc2c1cc(cc2)Cl AB63985 [0,2,0,0,0,0|2,0,0]=4 298 B13R2.2136 CNC1CCc2c1cc(cc2)F AB63989 [0,2,0,0,0,0|2,0,0]=4 299 B13R2.2130 COc1ccc2c(n1)CCC2N AB70097 [0,2,0,0,0,0|2,0,0]=4 300 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,0,1,1,0,0|2,0,0]=4 301 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [0,0,1,1,0,0|2,0,0]=4 302 B11R2.40 c1cnc(cn1)C2(CC2)N PB16659 [0,0,1,1,0,0|1,0,0]=3 303 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,0,1,1,0,0|2,0,0]=4 304 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,0,1,1,0,0|2,0,0]=4 305 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,0,1,1,0,0|2,0,0]=4 306 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [0,0,1,1,0,0|1,0,0]=3 307 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,0,1,1,0,0|2,0,0]=4 308 B11R2.20 c1cncc2c1CCNC2 PB10616 [0,0,1,1,0,0|2,0,0]=4 309 B11R2.20 c1cncc2c1CNCC2 AB48928 [0,0,1,1,0,0|2,0,0]=4 310 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,0,1,1,0,0|2,0,0]=4 311 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,0,1,1,0,0|2,0,0]=4 312 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,0,1,1,0,0|2,0,0]=4 313 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [0,0,1,1,0,0|1,0,0]=3 314 B9R2.3 C1CC2C=NN=C2C1 AB21809 [1,0,0,0,1,0|1,0,1]=4 315 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [0,0,1,0,0,1|2,0,0]=4 316 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,0,1,0,0,1|2,0,0]=4 317 B11R1.86 CC(C)Oc1c(nccn1)Cl MB13976 [0,0,1,0,0,1|1,0,0]=3