0 B11R1.41 CCCc1c(cccn1)C#N AB28607 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.41 CCCc1ccccc1NN AB27885 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.41 CNCc1cnccc1OC AB67885 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.41 COc1c(cccn1)CCN AB45444 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.41 COc1ccccc1CC=O AB02842 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.41 COc1ccccc1CNN PB34218 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.41 COc1ccncc1CCN AB45493 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.41 COc1cnccc1CCN AB67567 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.41 c1cncc(c1C#N)CCN AB68138 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 Cc1ccccc1CC=O AB11813 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.4 Cc1cccnc1CCN AB31462 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.4 Cc1ccncc1CCN AB55157 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.4 Cc1ccncc1CNC AB67828 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.4 c1cncc(c1F)CCN AB55177 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.20 COc1c(cccn1)C#C AB69070 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.20 COc1c(cccn1)C#N PB30871 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.20 COc1c(cccn1)C=O PB26137 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.20 COc1c(cccn1)CCl AB54482 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.20 COc1c(cccn1)CN PB10680 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.20 COc1c(cccn1)CN PB15194 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.20 COc1c(cccn1)CO PB20446 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.20 COc1c(nncn1)CN PB39100 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.20 COc1ccccc1C#N AB00156 [1,0,0,0,0,0|0,0,2]=3 39 B10R1.20 COc1ccccc1C=O AB00311 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.20 COc1cccnc1C#N AB40617 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.20 COc1cccnc1C=O AB22246 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.20 COc1cccnc1CCl AB60052 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.20 COc1cccnc1CN AB40619 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.20 COc1cccnc1CO MB05449 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.20 COc1cccnc1OC AB13430 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.20 COc1ccncc1C#C AB69060 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.20 COc1ccncc1C=O AB17569 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.20 COc1ccncc1CCl AB68800 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.20 COc1ccncc1CN AB67859 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.20 COc1cnccc1C#C AB69090 [1,0,0,0,0,0|1,0,2]=4 51 B10R1.20 COc1cnccc1C=O AB17541 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.20 COc1cnccc1CCl AB67554 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.20 COc1cnccc1CN AB63142 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.20 CSc1c(cccn1)CO MB07043 [1,0,0,0,0,0|2,1,0]=4 55 B10R1.20 c1cc(c(nc1)C#N)CN AB67388 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.20 c1cc(c(nc1)CN)C#N AB67702 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.20 c1cncc(c1C#N)CN AB68131 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.20 c1cncc(c1CN)C#N AB67699 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.75 CC(Cc1ccccc1OC)N MB01561 [0,1,0,0,0,0|0,0,0]=1 62 B12R1.77 COc1ccccc1C(=N)OC AB60967 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.77 COc1ccccc1C(=O)C=O AB29979 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.121 COc1c(cccn1)CCCN AB55116 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.121 COc1ccccc1CCC=O AB42265 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.121 COc1ccccc1CCCN AB07599 [0,1,0,0,0,0|0,0,0]=1 67 B12R1.121 COc1ccncc1CCCN AB67903 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.121 c1cc(c(nc1)C#N)CCCN AB67418 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.268 CCOc1cc(ccc1OC)Br CB11416 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.283 B(c1ccccc1CCBr)(O)O AB26477 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.283 c1ccc(c(c1)CCN)[N+](=O)[O-] AB23295 [0,1,0,0,0,0|2,0,0]=3 72 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,0,0,1,0,0|3,0,0]=4 73 B12R2.1 CNC1COc2c1cccn2 AB70122 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,0,0,1,0,0|0,0,0]=1 75 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [0,0,0,1,0,0|1,0,2]=4 76 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,0,0,1,0,0|1,0,0]=2 77 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,0|2,0,0]=3 80 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.24 c1c2c(ncn1)CC(CC2)N AB61113 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 c1c2c(ncn1)CCC(C2)N AB45337 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,1,0,0|0,0,0]=1 87 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,0,0,1,0,0|0,1,0]=2 88 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,0|1,0,0]=2 89 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,1,0,0|0,0,0]=1 91 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,1,0,0|0,0,0]=1 92 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.41 c1ccc2c(c1)CCCCN2 AB05634 [0,0,0,1,0,0|2,0,0]=3 94 B12R2.41 c1ccc2c(c1)CCCNC2 AB49623 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.41 c1ccc2c(c1)CCNCC2 AB16913 [0,0,0,1,0,0|1,0,0]=2 96 B12R2.41 c1ccc2c(c1)CCNCC2 PB31022 [0,0,0,1,0,0|1,0,0]=2 97 B12R2.41 c1ccc2c(c1)CNCCN2 AB30307 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.41 c1ccc2c(c1)COCCN2 AB62713 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.315 COc1c2c(ccn1)CNC2 AB77511 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.315 COc1c2c(ccn1)N=CC2 PB32653 [0,0,0,1,0,0|1,0,2]=4 101 B12R2.315 COc1c2c(ccn1)NCC2 AB73029 [0,0,0,1,0,0|1,0,0]=2 102 B12R2.315 COc1cccc2c1CNC2 AB63834 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,0,0,1,0,0|1,0,0]=2 104 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.8 c1c(cncn1)CCN AB45406 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.8 c1cc(cnc1)CCN AB04606 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.8 c1cc(cnc1)CNN PB16271 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.8 c1cc(nnc1)CCN AB61130 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.8 c1ccnc(c1)CCN AB00732 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.8 c1ccnc(c1)CNN PB19014 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.8 c1cnc(cn1)CCN AB22666 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.8 c1cnc(nc1)CCN AB55156 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.8 c1cnccc1CCN AB01702 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.8 c1cnccc1CNN PB10342 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.8 c1cncnc1CCN PB14818 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.8 c1cnncc1CCN AB62610 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.15 CCc1c(cccn1)Br AB68544 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.15 CCc1c(cccn1)O MB01433 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.15 CCc1ccncc1O MB12325 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.15 CCc1cnccc1Br PB37149 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.15 CCc1cnccc1O MB24095 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.15 CNc1ccncc1O MB27525 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.15 CNc1cnccc1O MB29366 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.15 COc1c(cccn1)Br PB20024 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.15 COc1c(cccn1)Cl AB13603 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.15 COc1c(cccn1)F AB13397 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.15 COc1c(cccn1)I AB13400 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 COc1c(cccn1)N AB07386 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.15 COc1c(cccn1)O AB06074 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.15 COc1c(nccn1)N AB22450 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.15 COc1cccnc1Br PB29151 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.15 COc1cccnc1Cl AB14749 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.15 COc1cccnc1I AB05182 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.15 COc1cccnc1N AB40614 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.15 COc1cccnc1O AB43293 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.15 COc1ccncc1Br AB22230 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.15 COc1ccncc1Cl AB51203 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.15 COc1ccncc1F AB66775 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.15 COc1ccncc1I AB09106 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.15 COc1ccncc1N AB40817 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.15 COc1ccncc1O MB09117 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.15 COc1cnccc1Br AB43705 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.15 COc1cnccc1Br MB09674 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.15 COc1cnccc1Cl AB66368 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.15 COc1cnccc1F AB66590 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.15 COc1cnccc1N AB55709 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.15 COc1cnccc1O MB25455 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.15 CSc1c(cccn1)O MB01598 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.15 CSc1ccncc1O MB25632 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.15 CSc1cnccc1O MB31499 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.15 Cc1c(cccn1)CBr PB19196 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.15 Cc1c(cccn1)CCl AB51469 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.15 Cc1c(cccn1)CCl PB28159 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 Cc1c(cccn1)CN AB14093 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.15 Cc1c(cccn1)CO AB01512 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.15 Cc1c(cccn1)OC AB03569 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.15 Cc1c(nccn1)CN PB38635 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.15 Cc1cccnc1CCl PB32645 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.15 Cc1cccnc1CN AB20671 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.15 Cc1cccnc1CO AB12590 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.15 Cc1cccnc1OC AB31414 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.15 Cc1ccncc1CCl PB22427 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.15 Cc1ccncc1CN PB14440 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.15 Cc1ccncc1CO PB21746 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.15 Cc1ccnnc1CN PB36913 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.15 Cc1cnccc1CCl PB24122 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.15 Cc1cnccc1CN AB17090 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.15 Cc1cnccc1CO PB32359 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.15 Cc1cnncc1CN PB36093 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.15 c1cc(c(nc1)CN)F AB55320 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.15 c1cc(c(nc1)CN)F PB13118 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.15 c1cc(c(nc1)CN)N AB48448 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.15 c1cc(c(nc1)CN)O MB01728 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.15 c1cc(c(nc1)CO)O MB00702 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.15 c1cc(c(nc1)F)CN AB23466 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.15 c1cc(c(nc1)O)CO AB52938 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 c1ccc(c(c1)CI)O MB07048 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.15 c1ccc(c(c1)CN)O MB01565 [2,0,0,0,0,0|0,0,0]=2 189 B9R1.15 c1cncc(c1Br)CN AB67954 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.15 c1cncc(c1CN)Br AB63141 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.15 c1cncc(c1CN)Cl AB63139 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.15 c1cncc(c1CN)F AB63136 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 c1cncc(c1CN)N AB49287 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.15 c1cncc(c1CN)O MB09249 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.15 c1cncc(c1Cl)CN AB49675 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.15 c1cncc(c1F)CN AB68023 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.15 c1cncc(c1O)CN MB35531 [2,0,0,0,0,0|1,0,0]=3 198 B11R1.13 C=CCc1cccc(c1O)N MB13698 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.13 Cc1c(c(ccn1)CCN)Cl AB83309 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.13 Cc1c(ccnc1Cl)CCN AB83367 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.13 Cc1c(ccnc1F)CCN AB82857 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.13 Cc1c(cncc1Cl)CCN AB83292 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.13 Cc1c(nccc1CCN)C AB82525 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.13 Cc1cncc(c1C)CCN AB82560 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.13 Cc1cncc(c1Cl)CCN AB83272 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.13 Cc1cncc(c1F)CCN AB82944 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.13 c1c(c(c(cn1)Cl)F)CCN AB82977 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.13 c1c(c(c(cn1)F)Cl)CCN AB83150 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.13 c1c(c(c(cn1)O)Cl)CCN AB84001 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.13 c1cnc(c(c1CCN)Cl)F AB83163 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.13 c1cnc(c(c1CCN)Cl)N AB83940 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.13 c1cnc(c(c1CCN)F)Cl AB83223 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.13 c1cnc(c(c1CCN)N)Cl AB83978 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.13 c1cnc(c(c1CCN)O)Cl AB84113 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.13 c1cnc(c(c1Cl)F)CCN AB83139 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.13 c1cnc(c(c1Cl)N)CCN AB83872 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.13 c1cnc(c(c1F)Cl)CCN AB83008 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.13 c1cnc(c(c1N)Cl)CCN AB83929 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.13 c1cnc(c(c1O)Cl)CCN AB84057 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.17 Cc1c(cccn1)CCCN AB66944 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.17 Cc1ccccc1CCC=O AB42260 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.17 Cc1ccccc1CCCN AB38679 [1,1,0,0,0,0|0,0,0]=2 229 B11R1.17 Cc1ccncc1CCCN AB67853 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.17 c1cncc(c1F)CCCN AB68073 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.81 Cc1c(ccc(n1)Cl)CCN AB85389 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.81 Cc1cc(c(cn1)CCN)Cl AB83329 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.81 Cc1cc(c(cn1)CCN)F AB83049 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.81 Cc1cc(cnc1CCN)Cl AB83241 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.81 Cc1cc(cnc1CCN)F AB82903 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.81 Cc1cc(ncc1CCN)C AB82577 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.81 Cc1cc(ncc1CCN)Cl AB83351 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.81 Cc1cc(ncc1CCN)F AB83069 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.81 c1c(c(cnc1F)CCN)Cl AB83191 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.81 c1c(cnc(c1Cl)CCN)F AB83122 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.81 c1c(cnc(c1F)CCN)Cl AB83116 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.81 c1cc(c(cc1Cl)Cl)CNN PB13051 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.81 c1cc(c(cc1F)Cl)CNN PB17475 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.86 Cc1ccccc1CC(C)N MB01550 [1,1,0,0,0,0|0,0,0]=2 259 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.182 Cc1cc(c(cn1)C)CCN AB82532 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.182 Cc1cc(c(nc1)Cl)CCN AB83239 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.182 Cc1cc(c(nc1)F)CCN AB55183 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.182 Cc1cnc(cc1CCN)Cl AB83226 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.182 Cc1cnc(cc1CCN)F AB82871 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.182 c1c(c(cnc1Cl)F)CCN AB83094 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.182 c1c(cnc(c1CCN)Cl)F AB83111 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.182 c1cc(nc(c1F)CCN)Cl AB83105 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.605 Cc1c(c(ccn1)Cl)CCN AB83338 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.605 Cc1c(c(ccn1)F)CCN AB83021 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.605 Cc1ccnc(c1CCN)C AB82522 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.605 Cc1ccnc(c1CCN)Cl AB83345 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.605 Cc1ccnc(c1CCN)F AB83058 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.605 Cc1cncc(c1CCN)C AB76699 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.605 Cc1cncc(c1CCN)Cl AB83254 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.605 Cc1cncc(c1CCN)F AB82916 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.605 c1c(c(c(cn1)Cl)CCN)F AB83129 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.605 c1cnc(c(c1Cl)CCN)F AB83206 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.37 CCc1cc(ccc1C#N)O MB23725 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.37 CCc1cc(ccc1C=O)O MB23751 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.37 CCc1cc(ccc1CN)O MB23752 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.37 CCc1cc(ccc1NC)O MB23761 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.37 CCc1cc(ccc1OC)O MB13572 [1,1,0,0,0,0|0,0,0]=2 289 B11R1.37 CCc1cc(ccc1SC)O MB23769 [1,1,0,0,0,0|0,1,0]=3 290 B11R1.37 CCc1ccc(cc1C#N)O MB23915 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.37 CCc1ccc(cc1C=O)O MB23937 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.37 CCc1ccc(cc1CC)O MB23941 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.37 CCc1ccc(cc1CN)O MB23942 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.37 CCc1ccc(cc1NC)O MB23952 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.37 CCc1ccc(cc1OC)O MB23954 [1,1,0,0,0,0|0,0,0]=2 296 B11R1.37 CCc1ccc(cc1SC)O MB23964 [1,1,0,0,0,0|0,1,0]=3 297 B11R1.37 CNc1cc(ccc1CN)O MB25975 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.37 CNc1cc(ccc1OC)O MB27280 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.37 CNc1cc(ccc1SC)O MB34610 [1,1,0,0,0,0|1,1,0]=4 300 B11R1.37 CNc1cc(cnc1OC)Br AB40963 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.37 CNc1ccc(cc1CN)Cl AB52940 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.37 CNc1ccc(cc1CN)O MB38111 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.37 CNc1ccc(cc1NC)O MB29942 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.37 CNc1ccc(cc1OC)O MB33444 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.37 CNc1ccc(cc1SC)O MB28485 [1,1,0,0,0,0|1,1,0]=4 306 B11R1.37 COc1c(cc(cn1)Br)CN PB27036 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.37 COc1c(cc(cn1)Br)CO PB19176 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.37 COc1c(cc(cn1)F)CN AB74754 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.37 COc1cc(ccc1C#N)Br AB27561 [1,1,0,0,0,0|0,0,2]=4 310 B11R1.37 COc1cc(ccc1C#N)O MB06526 [1,1,0,0,0,0|0,0,2]=4 311 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [1,1,0,0,0,0|1,0,1]=4 312 B11R1.37 COc1cc(ccc1CN)O MB05069 [1,1,0,0,0,0|0,0,0]=2 313 B11R1.37 COc1ccc(cc1C#N)O MB32417 [1,1,0,0,0,0|0,0,2]=4 314 B11R1.37 COc1ccc(cc1C=O)I AB20799 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.37 COc1ccc(cc1CCl)Br AB44028 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.37 COc1ccc(cc1CN)I AB44528 [1,1,0,0,0,0|0,0,0]=2 317 B11R1.37 COc1ccc(cc1CN)O MB28958 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.37 COc1ccc(cc1CO)Br MB00140 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.37 COc1ccc(cc1SC)O MB31332 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.37 CSc1cc(ccc1CN)O MB26243 [1,1,0,0,0,0|0,1,0]=3 321 B11R1.37 CSc1ccc(cc1CN)O MB36837 [1,1,0,0,0,0|0,1,0]=3 322 B11R1.37 CSc1ccc(cc1SC)O MB28889 [1,1,0,0,0,0|1,1,0]=4 323 B11R1.37 c1cc(c(cc1Cl)C#N)CN AB55032 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.37 c1cc(c(cc1F)CN)C#N MB19689 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.37 c1cc(c(cc1O)C#N)CN MB28487 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.37 c1cc(c(cc1O)C=O)CN MB26905 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.37 c1cc(c(cc1O)CN)C#N MB35393 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.37 c1cc(c(cc1O)CN)C=O MB30625 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.37 c1cc(c(cc1O)CN)CN MB03721 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.53 B(c1ccccc1CC)(O)O AB10774 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.53 B(c1ccccc1OC)(O)O AB05344 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.53 CC(=O)c1cccnc1OC AB64711 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.53 CC(=O)c1cnccc1OC AB67883 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.53 CC(c1cccnc1OC)N AB67098 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.53 CC(c1cnccc1OC)N AB67900 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.53 CCc1ccccc1C(=S)N AB26904 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.53 COc1ccccc1C(=N)N AB27551 [1,1,0,0,0,0|0,0,1]=3 338 B11R1.53 COc1ccccc1C(=S)N AB21279 [1,1,0,0,0,0|0,0,1]=3 339 B11R1.265 CCc1c(cccc1O)C#N MB23560 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.265 CCc1c(cccc1O)C=O MB23582 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.265 CCc1c(cccc1O)CN MB23584 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.265 CCc1c(cccc1O)NC MB23593 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.265 CCc1c(cccc1OC)O MB23601 [1,1,0,0,0,0|0,0,0]=2 344 B11R1.265 CCc1c(cccc1SC)O MB23611 [1,1,0,0,0,0|0,1,0]=3 345 B11R1.265 CCc1cccc(c1C#N)O MB24031 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.265 CCc1cccc(c1C=O)O MB24050 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.265 CCc1cccc(c1CC)O MB24051 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.265 CCc1cccc(c1CN)O MB24052 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.265 CCc1cccc(c1NC)O MB24062 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.265 CCc1cccc(c1OC)O MB24065 [1,1,0,0,0,0|0,0,0]=2 351 B11R1.265 CCc1cccc(c1SC)O MB24077 [1,1,0,0,0,0|0,1,0]=3 352 B11R1.265 CNc1c(cccc1O)CN MB30193 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.265 CNc1c(cccc1OC)O MB35055 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.265 CNc1c(cccc1SC)O MB30027 [1,1,0,0,0,0|1,1,0]=4 355 B11R1.265 CNc1cccc(c1CN)O MB33011 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.265 CNc1cccc(c1NC)O MB36957 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.265 CNc1cccc(c1OC)O MB37522 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.265 CNc1cccc(c1SC)O MB32690 [1,1,0,0,0,0|1,1,0]=4 359 B11R1.265 COc1c(cccc1Br)C#N CB11301 [1,1,0,0,0,0|0,0,2]=4 360 B11R1.265 COc1c(cccc1O)C#N MB35446 [1,1,0,0,0,0|0,0,2]=4 361 B11R1.265 COc1c(cccc1O)C=O MB03871 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.265 COc1c(cccc1O)CN MB27427 [1,1,0,0,0,0|0,0,0]=2 363 B11R1.265 COc1cccc(c1C#N)O MB28346 [1,1,0,0,0,0|0,0,2]=4 364 B11R1.265 COc1cccc(c1C=O)Br MB05120 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.265 COc1cccc(c1C=O)I AB18152 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.265 COc1ccnc(c1OC)Cl AB14219 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.265 CSc1c(cccc1O)CN MB33464 [1,1,0,0,0,0|0,1,0]=3 368 B11R1.265 CSc1cccc(c1CN)O MB30038 [1,1,0,0,0,0|0,1,0]=3 369 B11R1.265 Cc1cccc(c1C#N)OC MB08904 [1,1,0,0,0,0|0,0,2]=4 370 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.265 c1cc(c(c(c1)O)C#N)CN MB37238 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.265 c1cc(c(c(c1)O)C=O)CN MB30151 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.265 c1cc(c(c(c1)O)CN)C#N MB38764 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.265 c1cc(c(c(c1)O)CN)C=O MB28913 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.265 c1cc(c(c(c1)O)CN)CN MB32658 [1,1,0,0,0,0|2,0,0]=4 376 B13R1.51 CC(C)Oc1ccc(cc1OC)O MB36993 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.89 COc1ccccc1C(C(=O)O)N AB11971 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.89 COc1ccccc1[C@@H](C(=O)O)N AB30500 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.89 COc1ccccc1[C@H](C(=O)O)N AB32848 [0,2,0,0,0,0|1,0,1]=4 380 B13R1.91 CC(CN)Oc1ccccc1OC AB38901 [0,2,0,0,0,0|0,0,0]=2 381 B13R1.115 CC(C)Oc1cccc(c1OC)O MB28613 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.2135 CC(C)Oc1c(cccc1OC)O MB25436 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.3089 CC(C)Oc1cc(ccc1OC)O MB38059 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.382 COC(=O)c1ccccc1CCN AB23357 [0,2,0,0,0,0|0,0,0]=2 385 B13R1.464 COc1ccccc1C(=O)CC#N AB10610 [0,2,0,0,0,0|0,0,2]=4 386 B13R1.84 CNCCCc1ccccc1OC AB38801 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.90 COc1ccccc1CCC(=O)O AB00262 [0,2,0,0,0,0|1,0,0]=3 388 B13R1.355 CCOc1cc(ccc1OC)CO CB10086 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.381 CS(=O)(=O)c1ccccc1CCN AB70196 [0,2,0,0,0,0|0,1,0]=3 390 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [0,0,1,1,0,0|1,0,1]=4 391 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [1,0,0,1,0,0|1,0,0]=3 392 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [1,0,0,1,0,0|0,0,0]=2 393 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [1,0,0,1,0,0|1,0,0]=3 394 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [1,0,0,1,0,0|2,0,0]=4 395 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [1,0,0,1,0,0|2,0,0]=4 396 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [1,0,0,1,0,0|2,0,0]=4 397 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [1,0,0,1,0,0|2,0,0]=4 398 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [1,0,0,1,0,0|1,0,0]=3 399 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [1,0,0,1,0,0|1,0,0]=3 400 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [1,0,0,1,0,0|0,0,2]=4 401 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.20 c1cncc2c1CCNC2 PB10616 [1,0,0,1,0,0|1,0,0]=3 404 B11R2.20 c1cncc2c1CNCC2 AB48928 [1,0,0,1,0,0|1,0,0]=3 405 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [1,0,0,1,0,0|2,0,0]=4 406 B11R2.106 Cc1cccc2c1CCN2 MB06155 [1,0,0,1,0,0|0,0,0]=2 407 B11R2.106 Cc1cccc2c1CNC2 MB06843 [1,0,0,1,0,0|2,0,0]=4 408 B11R2.106 Cc1cccc2c1NCC2 MB04566 [1,0,0,1,0,0|2,0,0]=4 409 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [1,0,0,1,0,0|1,0,0]=3 410 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [1,0,0,1,0,0|2,0,0]=4 411 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [1,0,0,1,0,0|2,0,0]=4 412 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [1,0,0,1,0,0|1,0,0]=3 413 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [1,0,0,1,0,0|0,0,0]=2 414 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [1,0,0,1,0,0|2,0,0]=4 415 B11R2.106 c1cc2n(c(=O)c1)CCN2 MB08872 [1,0,0,1,0,0|1,0,1]=4 416 B11R2.106 c1cnc(c2c1NCC2)Br AB73026 [1,0,0,1,0,0|2,0,0]=4 417 B11R2.106 c1cnc(c2c1NCC2)Cl PB31568 [1,0,0,1,0,0|2,0,0]=4 418 B11R2.106 c1cnc2c(c1Br)CCN2 AB76365 [1,0,0,1,0,0|2,0,0]=4 419 B11R2.106 c1cnc2c(c1I)CCN2 AB85220 [1,0,0,1,0,0|2,0,0]=4 420 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|1,0,0]=3 421 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [1,0,0,1,0,0|2,0,0]=4 422 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [1,0,0,1,0,0|1,0,0]=3 423 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,1,0,0|1,0,1]=4 424 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [1,0,0,1,0,0|0,0,0]=2 425 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [1,0,0,1,0,0|2,0,0]=4 426 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [1,0,0,1,0,0|1,0,0]=3 427 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [1,0,0,1,0,0|2,0,0]=4 428 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [1,0,0,1,0,0|1,0,0]=3 429 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [1,0,0,1,0,0|1,0,0]=3 430 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [1,0,0,1,0,0|2,0,0]=4 431 B13R2.72 c1ccc2c(c1)C(CO2)C(=O)O AB45862 [0,1,0,1,0,0|1,0,1]=4 432 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,1,0,1,0,0|1,0,1]=4 433 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [0,1,0,1,0,0|1,0,1]=4 434 B13R2.222 CC1(COc2ccccc2N1)C AB72712 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.581 COc1c2c(ccn1)NC(=O)C2 AB48335 [0,1,0,1,0,0|1,0,1]=4 436 B13R2.581 COc1cccc2c1CC(=O)N2 AB31926 [0,1,0,1,0,0|0,0,1]=3 437 B13R2.581 COc1cccc2c1CC(C2)N AB69970 [0,1,0,1,0,0|0,0,0]=2 438 B13R2.581 COc1ccnc2c1CC(=O)N2 AB66469 [0,1,0,1,0,0|1,0,1]=4 439 B13R2.621 CCc1ccccc1OC2CC2 MB25867 [0,1,0,1,0,0|2,0,0]=4 440 B13R2.621 CNc1ccccc1OC2CC2 MB35654 [0,1,0,1,0,0|2,0,0]=4 441 B13R2.621 COc1c(cccn1)OC2CC2 MB38283 [0,1,0,1,0,0|2,0,0]=4 442 B13R2.621 COc1ccccc1OC2CC2 MB27196 [0,1,0,1,0,0|1,0,0]=3 443 B13R2.621 COc1ccncc1OC2CC2 MB35017 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.621 COc1cnccc1OC2CC2 MB47520 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.621 CSc1ccccc1OC2CC2 MB27840 [0,1,0,1,0,0|1,1,0]=4 446 B13R2.32 c1ccc2c(c1)CCC(C2O)Br MB00774 [0,1,0,1,0,0|2,0,0]=4 447 B13R2.91 COc1c(cccn1)C2(CC2)N AB67071 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.91 COc1ccccc1C2(CC2)N AB39537 [0,1,0,1,0,0|1,0,0]=3 449 B13R2.91 COc1ccncc1C2(CC2)N AB67888 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.371 CC1CNC(=O)c2c1cccc2 AB19151 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.582 COc1cccc2c1C(=O)CC2 AB42918 [0,1,0,1,0,0|1,0,1]=4 452 B13R2.1613 CCC1CNCc2c1cccc2 MB06169 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.1613 CNC1CCCc2c1cccc2 MB03780 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [0,1,0,1,0,0|0,0,1]=3 455 B13R2.1613 COc1c2c(ccn1)CNCC2 AB68343 [0,1,0,1,0,0|1,0,0]=3 456 B13R2.1613 COc1c2c(ccn1)NCCC2 AB73003 [0,1,0,1,0,0|1,0,0]=3 457 B13R2.1613 COc1cccc2c1CCCN2 MB06329 [0,1,0,1,0,0|0,0,0]=2 458 B13R2.1613 COc1cccc2c1NCCO2 MB11313 [0,1,0,1,0,0|1,0,0]=3 459 B13R2.1613 COc1cccc2c1OCCN2 MB06351 [0,1,0,1,0,0|0,0,0]=2 460 B13R2.1613 COc1ccnc2c1CCNC2 AB73919 [0,1,0,1,0,0|1,0,0]=3 461 B13R2.1613 c1cc2c(c(c1)C#N)CCNC2 AB32479 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.1613 c1ccc2c(c1)CCCC2CN AB11056 [0,1,0,1,0,0|1,0,0]=3 463 B13R2.2931 Cn1cc(c2c1cccc2)CN PB32428 [0,1,0,1,0,0|1,0,1]=4 464 B13R2.5252 c1ccc2c(c1)C(CCCN2)N AB27677 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.5252 c1ccc2c(c1)CCCNC2=O AB19134 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.5252 c1ccc2c(c1)[C@@H](CCCN2)N AB29365 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.5252 c1ccc2c(c1)[C@H](CCCN2)N AB27678 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.162 Cc1ccc2c(c1)C(=O)NCC2 AB19138 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.162 c1cc2c(c(c1)Br)CC(CO2)N AB70336 [0,1,0,1,0,0|0,0,0]=2 470 B13R2.162 c1cc2c(cc1Br)C(=O)NCC2 AB45191 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.162 c1cc2c(cc1Cl)C(=O)NCC2 AB19145 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.162 c1cc2c(cc1F)C(=O)NCC2 AB19156 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.162 c1cc2c(cc1N)C(=O)NCC2 AB45199 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.162 c1cc2c(cc1O)C(=O)NCC2 AB19148 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.3683 Cc1ccc2c(c1)OCC(=O)C2 AB56631 [0,1,0,1,0,0|1,0,1]=4 476 B13R2.3683 Cc1ccc2c(c1)OCC(C2)N AB56664 [0,1,0,1,0,0|0,0,0]=2 477 B13R2.3683 c1cc2c(cc1Br)CCC(C2)N AB28753 [0,1,0,1,0,0|1,0,0]=3 478 B13R2.3683 c1cc2c(cc1Br)OCC(=O)C2 AB56634 [0,1,0,1,0,0|1,0,1]=4 479 B13R2.3683 c1cc2c(cc1Br)OCC(C2)N AB56668 [0,1,0,1,0,0|0,0,0]=2 480 B13R2.3683 c1cc2c(cc1Br)OCC(C2)O AB66841 [0,1,0,1,0,0|1,0,0]=3 481 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N AB28749 [0,1,0,1,0,0|1,0,0]=3 482 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)C2 AB56636 [0,1,0,1,0,0|1,0,1]=4 483 B13R2.3683 c1cc2c(cc1Cl)OCC(C2)N AB56672 [0,1,0,1,0,0|0,0,0]=2 484 B13R2.3683 c1cc2c(cc1F)CCC(C2)N AB18461 [0,1,0,1,0,0|1,0,0]=3 485 B13R2.3683 c1cc2c(cc1F)CCC(C2)O AB19247 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.3683 c1cc2c(cc1F)CC[C@@H](C2)N AB28759 [0,1,0,1,0,0|1,0,0]=3 487 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [0,1,0,1,0,0|1,0,1]=4 488 B13R2.3683 c1cc2c(cc1F)OCC(C2)N AB56676 [0,1,0,1,0,0|0,0,0]=2 489 B13R2.3683 c1cc2c(cc1O)CCC(C2)N AB43907 [0,1,0,1,0,0|1,0,0]=3 490 B13R2.1 CNCC1=c2ccccc2=NC1 AB12966 [0,1,0,1,0,0|1,0,1]=4 491 B13R2.1 c1ccc2c(c1)CCC2CC#N AB60218 [0,1,0,1,0,0|1,0,1]=4 492 B13R2.1 c1ccc2c(c1)c(no2)CCO AB44138 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.1 c1ccc2c(c1)ccn2CCN AB15612 [0,1,0,1,0,0|1,0,1]=4 494 B13R2.1 c1ccc2c(c1)ncn2CCN AB07995 [0,1,0,1,0,0|1,0,1]=4 495 B13R2.1 c1ccc2c(c1)nnn2CCN AB28500 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.45 Cn1c2ccccc2nc1CN AB06071 [0,1,0,1,0,0|1,0,1]=4 497 B13R2.57 c1ccc2c(c1)CC(CO2)C=O AB56552 [0,1,0,1,0,0|1,0,0]=3 498 B13R2.57 c1ccc2c(c1)CC(NC2)CN AB31262 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.57 c1ccc2c(c1)CCC(C2)CN AB28261 [0,1,0,1,0,0|1,0,0]=3 500 B13R2.57 c1ccc2c(c1)CCC(O2)CN AB60224 [0,1,0,1,0,0|1,0,0]=3 501 B13R2.57 c1ccc2c(c1)NC(CO2)CN AB22216 [0,1,0,1,0,0|0,0,0]=2 502 B13R2.57 c1ccc2c(c1)NC(CO2)CO AB22218 [0,1,0,1,0,0|1,0,0]=3 503 B13R2.57 c1ccc2c(c1)OCC(O2)C#N MB00524 [0,1,0,1,0,0|0,0,2]=4 504 B13R2.57 c1ccc2c(c1)OCC(O2)C=O AB11943 [0,1,0,1,0,0|1,0,1]=4 505 B13R2.57 c1ccc2c(c1)OCC(O2)CN AB08432 [0,1,0,1,0,0|0,0,0]=2 506 B13R2.57 c1ccc2c(c1)OC[C@@H](O2)CN AB60220 [0,1,0,1,0,0|0,0,0]=2 507 B13R2.57 c1ccc2c(c1)OC[C@H](O2)CN AB60219 [0,1,0,1,0,0|0,0,0]=2 508 B13R2.67 c1ccc2c(c1)CCCCCN2 AB65827 [0,1,0,1,0,0|2,0,0]=4 509 B13R2.573 COc1cccc2c1CCC2N AB38396 [0,1,0,1,0,0|0,0,0]=2 510 B13R2.573 COc1cccc2c1CC[C@@H]2N AB38400 [0,1,0,1,0,0|0,0,0]=2 511 B13R2.573 COc1cccc2c1CC[C@H]2N AB38398 [0,1,0,1,0,0|0,0,0]=2 512 B13R2.573 COc1cccc2c1CNC2=O AB51007 [0,1,0,1,0,0|1,0,1]=4 513 B13R2.573 COc1cccc2c1OCC2=O MB01147 [0,1,0,1,0,0|1,0,1]=4 514 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [0,1,0,1,0,0|1,0,1]=4 515 B13R2.155 Cc1ccc2c(c1)CC(CO2)N AB45770 [0,1,0,1,0,0|0,0,0]=2 516 B13R2.155 Cc1ccc2c(c1)C[C@@H](CO2)N AB56592 [0,1,0,1,0,0|0,0,0]=2 517 B13R2.155 Cc1ccc2c(c1)C[C@H](CO2)N AB56610 [0,1,0,1,0,0|0,0,0]=2 518 B13R2.155 c1cc2c(cc1Br)CC(=O)CO2 AB56614 [0,1,0,1,0,0|1,0,1]=4 519 B13R2.155 c1cc2c(cc1Br)CC(CC2)N AB28750 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.155 c1cc2c(cc1Br)CC(CO2)N AB45763 [0,1,0,1,0,0|0,0,0]=2 521 B13R2.155 c1cc2c(cc1Br)CC(CS2)N AB18500 [0,1,0,1,0,0|0,1,0]=3 522 B13R2.155 c1cc2c(cc1Br)C[C@@H](CO2)N AB56586 [0,1,0,1,0,0|0,0,0]=2 523 B13R2.155 c1cc2c(cc1Br)C[C@H](CO2)N AB56605 [0,1,0,1,0,0|0,0,0]=2 524 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [0,1,0,1,0,0|1,0,1]=4 525 B13R2.155 c1cc2c(cc1Cl)CC(CC2)N AB28745 [0,1,0,1,0,0|1,0,0]=3 526 B13R2.155 c1cc2c(cc1Cl)CC(CO2)N AB45756 [0,1,0,1,0,0|0,0,0]=2 527 B13R2.155 c1cc2c(cc1Cl)C[C@@H](CO2)N AB56582 [0,1,0,1,0,0|0,0,0]=2 528 B13R2.155 c1cc2c(cc1Cl)C[C@H](CO2)N AB56600 [0,1,0,1,0,0|0,0,0]=2 529 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [0,1,0,1,0,0|1,0,1]=4 530 B13R2.155 c1cc2c(cc1F)CC(CC2)N AB28755 [0,1,0,1,0,0|1,0,0]=3 531 B13R2.155 c1cc2c(cc1F)CC(CO2)N AB45759 [0,1,0,1,0,0|0,0,0]=2 532 B13R2.155 c1cc2c(cc1F)CC(CS2)N AB18480 [0,1,0,1,0,0|0,1,0]=3 533 B13R2.155 c1cc2c(cc1F)C[C@@H](CO2)N AB56585 [0,1,0,1,0,0|0,0,0]=2 534 B13R2.155 c1cc2c(cc1F)C[C@H](CO2)N AB56601 [0,1,0,1,0,0|0,0,0]=2 535 B13R2.155 c1cc2c(cc1O)CC(CC2)N AB28767 [0,1,0,1,0,0|1,0,0]=3 536 B13R2.2136 c1cc2c(cc1Br)C(CO2)CN AB56741 [0,1,0,1,0,0|0,0,0]=2 537 B13R2.2136 c1cc2c(cc1Cl)C(CO2)CN AB56745 [0,1,0,1,0,0|0,0,0]=2 538 B13R2.2136 c1cc2c(cc1F)C(CO2)CN AB56743 [0,1,0,1,0,0|0,0,0]=2 539 B13R2.5179 c1cc2c(cc1Br)CCNC2=O PB27642 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O AB19131 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.5179 c1cc2c(cc1F)CCNC2=O AB19126 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.3122 CC1(c2ccccc2CCN1)C AB62583 [0,1,0,1,0,0|1,0,0]=3 543 B13R2.5569 c1cc2c(c(c1)[N+](=O)[O-])CCN2 MB04561 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.4818 c1cc2c(c(c1)Br)C(=O)NCC2 AB65453 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.4818 c1cc2c(c(c1)N)C(=O)NCC2 AB73861 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.342 c1cc2c(c(c1)Br)CCNC2=O AB64743 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.342 c1cc2c(c(c1)Cl)CCNC2=O AB19152 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.342 c1cc2c(c(c1)F)CCNC2=O AB19155 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.342 c1cc2c(c(c1)N)CCNC2=O AB53700 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.342 c1cc2c(c(c1)N)CCNC2=O MB05527 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.33 Cc1c(scn1)CCN AB43197 [1,0,0,0,1,0|2,0,0]=4 552 B9R1.33 Cn1ccnc1CCN AB26757 [1,0,0,0,1,0|2,0,0]=4