0 B10R1.15 CC(c1cccnc1)NC CB11165 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 CCC(c1cnccn1)N PB31632 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,0,0,0,0,0|1,0,3]=4 13 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,0,0,0,0,0|1,0,3]=4 14 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 B(c1cccnc1)(O)O AB17635 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 B(c1cccnc1)(O)O PB14187 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.6 B(c1ccncc1)(O)O AB23111 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 B(c1ccncc1)(O)O PB29133 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,0|1,0,2]=4 24 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 CC(c1ccncc1)N AB11609 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 CC(c1ccncn1)N PB34498 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.6 CC(c1ccnnc1)N PB22705 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.6 CC(c1cnccn1)N PB14922 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 CC(c1cncnc1)N PB22435 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 CC(c1ncccn1)N AB59468 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 C[C@H](c1cncnc1)N PB28768 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 c1cc(cnc1)C(F)F AB64034 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 c1ccnc(c1)C(F)F AB64042 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 CNCc1ccnnc1 PB24326 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 CNCc1cnccn1 PB18749 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.8 CNCc1cncnc1 PB33284 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.8 CNCc1ncccn1 PB29842 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 c1cncnc1CCN PB14818 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.8 c1cnncc1CCN AB62610 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.7 CC(C)(CN)c1ccccc1 CB10869 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.7 CC(C)(CN)c1cccnc1 AB65048 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.7 CC(C)(CN)c1ccncc1 AB65050 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.7 CC(CN)(c1ccccc1)O AB18534 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.7 CC(CN)(c1ccccc1)O AB31018 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.7 c1cc(cnc1)C(CN)(F)F AB63158 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.7 c1ccc(cc1)C(CN)(F)F AB63157 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.7 c1ccnc(c1)C(CN)(F)F PB32694 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.7 c1ccnc(c1)C(CO)(F)F PB29587 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.12 B(c1ccccn1)(OC)OC AB14373 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.12 B(c1cccnc1)(OC)OC AB09365 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.12 COC(c1ccncn1)OC PB32451 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.16 CCCC(c1cnccn1)N AB27585 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,0,0,0,0|0,0,2]=3 90 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,0,0|1,0,2]=4 96 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.23 CCN(C)c1cccc(n1)Br AB54124 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,1,0,0,0,0|1,0,2]=4 107 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,1,0,0,0,0|1,0,2]=4 115 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,0|0,0,2]=3 119 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,0,0,0,0|1,0,2]=4 124 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,0,0,1,0,0|2,0,0]=3 125 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,1,0,0|2,0,0]=3 126 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,0|1,0,2]=4 127 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,1,0,0|2,0,0]=3 128 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,0,0,1,0,0|3,0,0]=4 129 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|1,0,2]=4 130 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,1,0,0|2,0,0]=3 131 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,0,0,1,0,0|3,0,0]=4 132 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,1,0,0|1,0,0]=2 133 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,1,0,0|2,0,0]=3 134 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,1,0,0|1,0,0]=2 135 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,1,0,0|1,0,0]=2 136 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,1,0,0|1,0,2]=4 137 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,1,0,0|2,0,0]=3 138 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,0,0,1,0,0|2,0,0]=3 139 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [0,0,0,1,0,0|1,0,0]=2 140 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [0,0,0,1,0,0|2,0,0]=3 141 B11R2.40 c1cnc(cn1)C2(CC2)N PB16659 [0,0,0,1,0,0|3,0,0]=4 142 B11R2.40 c1cnc(nc1)C2(CC2)N PB27038 [0,0,0,1,0,0|3,0,0]=4 143 B11R2.40 c1cnccc1C2(CC2)N AB55046 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,0,0,0,0,1|2,0,0]=3 146 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,0,0,0,0,1|3,0,0]=4 147 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,0,0,0,0,1|3,0,0]=4 148 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,0,0,0,0,1|2,0,0]=3 149 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,0,0,0,0,1|2,0,1]=4 150 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,0,0,0,0,1|2,0,0]=3 151 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,0,0,0,0,1|2,0,0]=3 152 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,0,0,0,0,1|2,0,0]=3 153 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,0,0,0,0,1|2,0,0]=3 154 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,0,0,0,0,1|2,0,0]=3 155 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.2 c1c(cncn1)CO PB18631 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 c1cc(nnc1)CO PB30818 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.2 c1cnc(cn1)CO PB21779 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.2 c1cnc(nc1)CO PB12410 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 c1cncnc1CO PB12296 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 c1cnncc1CO PB26178 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.28 CC(C)(C)c1ccccn1 CB10120 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.28 CC(C)(c1ccccn1)N AB48746 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.28 CC(C)(c1cccnc1)N AB48740 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.28 CC(C)(c1ccncc1)N AB48742 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.61 B(c1ccccc1C)(O)O AB03348 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.61 B(c1ccccc1F)(O)O AB06918 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.61 B(c1ccccc1N)(O)O AB08088 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.61 B(c1ccccc1O)(O)O AB08053 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.61 CC(C)c1ccncc1O MB22678 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.61 CC(C)c1cnccc1O MB22684 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.61 CC(c1cccnc1Br)N AB41828 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.61 CC(c1cccnc1Cl)N AB67346 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.61 CC(c1cnccc1Cl)N AB68000 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.61 CN(C)c1ccccc1O MB08302 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.61 Cc1ccncc1C(C)N AB67850 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.113 CC(c1ccnc(c1)Cl)N AB67353 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.113 C[C@@H](c1ccnc(c1)Cl)N AB49742 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.113 C[C@H](c1ccnc(c1)Cl)N AB49740 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [1,1,0,0,0,0|0,0,2]=4 237 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [1,1,0,0,0,0|0,0,2]=4 238 B10R1.1 C#CCc1ccc(cc1)F AB61384 [1,1,0,0,0,0|0,0,2]=4 239 B10R1.1 C#CCc1ccc(cc1)I AB73225 [1,1,0,0,0,0|0,0,2]=4 240 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.1 CCNc1ccc(cn1)Br AB51199 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.1 CNCc1ccc(cn1)Br AB49704 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.1 CNCc1ccc(cn1)F AB67668 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.1 CNCc1ccc(cn1)N AB67748 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.1 CNCc1ccc(nc1)Br AB67269 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.1 Cc1ccc(cn1)CNC AB63786 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.1 Cc1ccc(nc1)CCN AB31467 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.1 Cc1ccc(nc1)CNC AB67504 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.1 c1cc(ccc1CC#N)F AB00175 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.1 c1cc(ccc1CNN)Br PB32548 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.1 c1cc(ccc1CNN)F PB20964 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.1 c1cc(ncc1Br)CCN PB20258 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.1 c1cc(ncc1F)CCN AB45484 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.1 c1cc(ncc1N)CCN AB67762 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.1 c1cc(ncc1O)CCN AB67805 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.4 CCCc1cncnc1Cl AB55649 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.4 CCOc1ccncc1Br MB01009 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.4 CNCc1c(cccn1)F PB12566 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.4 CNCc1cccnc1Cl AB53845 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.4 CNCc1cnccc1Br AB67968 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.4 CNCc1cnccc1Cl AB67984 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.4 CNCc1cnccc1F AB68060 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.4 Cc1ccncc1CNC AB67828 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.4 c1cncc(c1F)CCN AB55177 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,1,0,0,0,0|0,0,2]=4 311 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,1,0,0,0,0|0,0,2]=4 312 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,1,0,0,0,0|0,0,2]=4 313 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.10 CCOc1cc(ccn1)Br AB05209 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.10 CCOc1cc(ccn1)N AB05301 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.10 CCOc1cccc(n1)Br AB05279 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.10 CCOc1cccc(n1)N AB05302 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.10 CCOc1ccnc(c1)N AB09620 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.10 CNCc1cc(ccn1)Br AB40680 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.10 CNCc1cc(ccn1)F AB68057 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 CNCc1cc(ccn1)N AB40666 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.10 CNCc1cc(cnc1)Br AB41067 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.10 CNCc1cc(cnc1)F AB67670 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.10 CNCc1cc(cnc1)N AB67751 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.10 CNCc1cccc(n1)Br AB48344 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.10 CNCc1cccc(n1)Cl AB67315 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.10 CNCc1cccc(n1)F AB72833 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.10 CNCc1ccnc(c1)Br AB67272 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.10 Cc1cc(ccn1)CCN AB55165 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.10 Cc1cc(ccn1)CNC AB53841 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.10 Cc1cc(cnc1)CNC AB67507 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.10 Cc1cccc(n1)CCN AB17067 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.10 Cc1cccc(n1)CNC AB01381 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.10 Cc1ccnc(c1)CNC AB52584 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.10 c1c(cncc1F)CCN AB55166 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.10 c1c(cncc1N)CCN AB67760 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.10 c1cnc(cc1Br)CCN AB55853 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.10 c1cnc(cc1CCBr)F AB72866 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.10 c1cnc(cc1CCN)Br AB45468 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.10 c1cnc(cc1CCN)F AB55184 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.10 c1cnc(cc1F)CCN AB55195 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.17 CNCCc1cccnc1 AB10676 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.17 CNCCc1ccncc1 AB02055 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|0,0,1]=3 376 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.17 c1cnccc1CCC=O AB49299 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.17 c1cnccc1CCCN AB43583 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.18 CC(C)Oc1ccccn1 AB63711 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.18 CC(Cc1cnccn1)N AB28467 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|0,0,0]=2 393 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|0,0,0]=2 394 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.11 c1cc(sc1)C(CCCl)O AB24970 [0,1,0,0,1,0|1,0,0]=3 396 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [0,1,0,0,0,1|2,0,0]=4 397 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,1,0,0,0,1|0,0,2]=4 398 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,1,0,0,0,1|2,0,0]=4 399 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,1,0,0,0,1|2,0,0]=4 400 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,1,0,0,0,1|2,0,0]=4 401 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,1,0,0,0,1|2,0,0]=4 402 B12R1.49 c1cc(ccc1CC(C#N)O)F AB13917 [0,1,0,0,0,1|1,0,1]=4 403 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,1,0,0,0,1|2,0,0]=4 404 B12R1.50 CC(CN)Oc1cccc(c1)Br AB38868 [0,1,0,0,0,1|2,0,0]=4 405 B12R1.50 CC(CN)Oc1cccc(c1)Cl AB38860 [0,1,0,0,0,1|2,0,0]=4 406 B12R1.50 CC(CN)Oc1cccc(c1)F AB23638 [0,1,0,0,0,1|2,0,0]=4 407 B12R1.50 Cc1cccc(c1)OC(C)CN AB23642 [0,1,0,0,0,1|2,0,0]=4 408 B12R1.371 CC(CN)Oc1ccccc1Br AB38866 [0,1,0,0,0,1|2,0,0]=4 409 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,1,0,0,0,1|2,0,0]=4 410 B12R1.371 CC(CN)Oc1ccccc1F AB23635 [0,1,0,0,0,1|2,0,0]=4 411 B12R1.371 Cc1ccccc1OC(C)CN AB23640 [0,1,0,0,0,1|2,0,0]=4 412 B12R1.9 CC(CN)(c1ccc(cc1)Cl)O AB31025 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.9 CC(CN)(c1ccc(cc1)Cl)O AB49882 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.9 Cc1ccc(cc1)C(CN)(F)F AB84703 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.9 c1cc(ccc1C(CN)(F)F)Br AB76208 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.9 c1cc(ccc1C(CN)(F)F)Cl AB76550 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.9 c1cc(ccc1C(CN)(F)F)F AB76475 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.10 Cc1cccc(c1)C(CN)(F)F AB84700 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.10 c1cc(cc(c1)Br)C(CN)(F)F AB76206 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.10 c1cc(cc(c1)Cl)C(CN)(F)F AB76544 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.10 c1cc(cc(c1)F)C(CN)(F)F AB76537 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.39 c1ccc(cc1)C(CCN)(F)F AB68672 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O AB02735 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O AB02737 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.13 COC(c1cc(cnc1)Cl)OC AB45538 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.13 COC(c1ccnc(c1)N)OC PB24987 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.478 CN(C)C(C#N)c1ccccc1 MB00227 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.478 CNC(c1ccccc1)C(=O)O AB08751 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.478 c1cc(cnc1)C(CN)C(=O)O AB16159 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.478 c1ccc(cc1)C(CN)C(=O)O AB11929 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.478 c1ccc(cc1)[C@H](CN)C(=O)O AB62462 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.478 c1ccnc(c1)C(CN)C(=O)O AB62452 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.478 c1cnccc1C(CN)C(=O)O AB62451 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [0,2,0,0,0,0|0,0,2]=4 435 B12R1.16 CCOS(=O)c1ccc(cc1)Cl AB45706 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.16 c1cc(ccc1C(CCO)N)Br AB20223 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.16 c1cc(ccc1C(CCO)N)Cl AB14423 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.16 c1cc(ccc1C(CCO)N)F AB14430 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.30 CN(CCCN)c1ccccc1 AB04605 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.30 CNCCC(c1ccccc1)O AB06932 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl AB14424 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.5 C[C@H](CN)c1ccc(cc1)OC AB85099 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [0,2,0,0,0,0|0,0,0]=2 446 B12R1.1703 CCC(=O)c1ccc(cc1F)Br MB09679 [0,2,0,0,0,0|0,0,2]=4 447 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br AB15749 [0,2,0,0,0,0|0,0,2]=4 448 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Cl AB18155 [0,2,0,0,0,0|0,0,2]=4 449 B12R1.225 C[C@@H](c1cccc(c1)O)N(C)C MB03878 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.354 CCC(=O)c1cc(ccc1F)Br MB09680 [0,2,0,0,0,0|0,0,2]=4 451 B12R1.358 c1c(cc(cc1Cl)Cl)C(CO)N AB12436 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.435 C[C@H](CN)c1cccc(c1)OC AB85100 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.564 c1ccc(cc1)C(C(F)(F)F)N AB07860 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.564 c1ccc(cc1)[C@@H](C(F)(F)F)N AB27669 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.564 c1ccc(cc1)[C@H](C(F)(F)F)N AB27666 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.77 CCC(=O)c1ccccc1C#C AB69159 [0,2,0,0,0,0|0,0,2]=4 457 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [1,0,0,1,0,0|2,0,0]=4 458 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|2,0,0]=4 459 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|1,0,0]=3 460 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|2,0,0]=4 461 B10R2.7 c1cncc2c1CNC2 AB30511 [1,0,0,1,0,0|2,0,0]=4 462 B10R2.7 c1cncc2c1CNC2 PB24193 [1,0,0,1,0,0|2,0,0]=4 463 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,0,0,1,0,1|1,0,0]=3 464 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,1|2,0,0]=4 465 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,1|2,0,0]=4 466 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,1|2,0,0]=4 467 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,1|2,0,0]=4 468 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,0,0,1,0,1|2,0,0]=4 469 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,1,0,1|2,0,0]=4 470 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,0,0,1,0,1|2,0,0]=4 471 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,1|1,0,0]=3 472 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,0,0,1,0,1|2,0,0]=4 473 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,1,0,1|2,0,0]=4 474 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,1,0,1|2,0,0]=4 475 B12R2.32 CCc1nc2c(o1)cccn2 AB63473 [0,0,0,1,0,1|1,0,1]=4 476 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [0,0,0,1,0,1|2,0,0]=4 477 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,0,0,1,0,1|2,0,0]=4 478 B12R2.32 c1ccc2c(c1)nc(o2)CCl AB22415 [0,0,0,1,0,1|1,0,1]=4 479 B12R2.32 c1ccc2c(c1)nc(o2)CN AB16902 [0,0,0,1,0,1|1,0,1]=4 480 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [0,0,0,1,0,1|2,0,0]=4 481 B12R2.48 c1cc(cnc1)C2(CC2)CN AB63161 [0,1,0,1,0,0|2,0,0]=4 482 B12R2.48 c1ccc(cc1)C2(CC2)C=O AB62779 [0,1,0,1,0,0|0,0,1]=3 483 B12R2.48 c1ccc(cc1)C2(CC2)CN AB23375 [0,1,0,1,0,0|1,0,0]=3 484 B12R2.48 c1ccnc(c1)C2(CC2)CN AB63160 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.48 c1cnccc1C2(CC2)CN AB65053 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.116 c1cc(cnc1)C2(CCC2)N AB55049 [0,1,0,1,0,0|2,0,0]=4 487 B12R2.116 c1cc(cnc1)C2(COC2)N AB82488 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.116 c1ccc(cc1)C2(CCC2)N AB45250 [0,1,0,1,0,0|1,0,0]=3 489 B12R2.116 c1ccc(cc1)C2(CNC2)O PB24509 [0,1,0,1,0,0|0,0,0]=2 490 B12R2.116 c1ccc(cc1)C2(COC2)N PB24350 [0,1,0,1,0,0|1,0,0]=3 491 B12R2.116 c1ccc(cc1)C2(COC2)O PB13884 [0,1,0,1,0,0|0,0,0]=2 492 B12R2.116 c1ccnc(c1)C2(COC2)N AB82501 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.116 c1cnccc1C2(CCC2)N AB55050 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.116 c1cnccc1C2(COC2)N AB82494 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.235 c1ccc(cc1)[C@@]2(C[C@@H]2F)N MB69379 [0,1,0,1,0,0|1,0,0]=3 496 B12R2.235 c1ccc(cc1)[C@@]2(C[C@H]2N)F MB69387 [0,1,0,1,0,0|1,0,0]=3 497 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,1,0,1,0,0|1,0,0]=3 500 B12R2.1 CNC1CCc2c1cccn2 AB70125 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.1 CNC1COc2c1cccn2 AB70122 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,1,0,1,0,0|1,0,0]=3 503 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.2 c1cc(cnc1)C2CCCN2 AB01223 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [0,1,0,1,0,0|0,0,0]=2 508 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [0,1,0,1,0,0|1,0,0]=3 509 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [0,1,0,1,0,0|1,0,0]=3 510 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [0,1,0,1,0,0|1,0,0]=3 511 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [0,1,0,1,0,0|1,0,0]=3 512 B12R2.2 c1ccnc(c1)C2CCCN2 PB23261 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.2 c1ccnc(c1)C2CCNC2 AB10236 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.2 c1ccnc(c1)[C@@H]2CCCN2 AB39377 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.2 c1cnccc1C2CCCN2 AB10234 [0,1,0,1,0,0|2,0,0]=4 516 B12R2.2 c1cnccc1C2CCNC2 AB10240 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.2 c1cnccc1[C@@H]2CCCN2 AB49753 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.2 c1cnccc1[C@H]2CCCN2 AB49756 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,1,0,1,0,0|1,0,1]=4 520 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,1,0,1,0,0|1,0,1]=4 521 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,1,0,1,0,0|1,0,0]=3 522 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,1,0,1,0,0|1,0,0]=3 525 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.1081 c1cc2c(nc1)C(CCC2)N MB05927 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.1081 c1cc2c(nc1)CCCC2N PB24835 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.1081 c1cc2c(nc1)OCCC2N AB70317 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,1,0,0|0,0,2]=4 530 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,1,0,0|0,0,2]=4 531 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,1,0,1,0,0|1,0,0]=3 532 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,1,0,1,0,0|1,0,0]=3 533 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,1,0,1,0,0|1,0,0]=3 534 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,1,0,0|0,0,2]=4 536 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,1,0,0|0,0,2]=4 537 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,1,0,0|0,0,2]=4 538 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,1,0,0|0,0,2]=4 539 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,1,0,1,0,0|1,0,0]=3 540 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,1,0,1,0,0|0,0,0]=2 541 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,1,0,1,0,0|1,0,0]=3 542 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,1,0,1,0,0|1,0,0]=3 543 B12R2.1081 c1cncc2c1C(CCC2)N MB05957 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.1081 c1cncc2c1CCCC2N MB05952 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,1,0,0|0,0,2]=4 546 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,1,0,0|0,0,2]=4 547 B12R2.2075 c1ccc(cc1)C(C2CC2)N CB10839 [0,1,0,1,0,0|1,0,0]=3 548 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.290 Cc1ccc(cc1)C2(CC2)N AB32578 [0,1,0,1,0,0|1,0,0]=3 551 B12R2.290 Cc1ccc(cn1)C2(CC2)N AB66890 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.290 c1cc(ccc1C2(CC2)N)Br AB39547 [0,1,0,1,0,0|1,0,0]=3 553 B12R2.290 c1cc(ccc1C2(CC2)N)Cl AB32576 [0,1,0,1,0,0|1,0,0]=3 554 B12R2.290 c1cc(ccc1C2(CC2)N)F AB39550 [0,1,0,1,0,0|1,0,0]=3 555 B12R2.290 c1cc(ncc1Br)C2(CC2)N AB62764 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.290 c1cc(ncc1C2(CC2)N)Br AB67274 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.290 c1cc(ncc1C2(CC2)N)Cl AB67316 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.612 B1(c2ccc(cc2CO1)F)O MB08883 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,1,0,0|1,0,0]=3 561 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,1,0,0|1,0,0]=3 562 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,1,0,0|1,0,0]=3 563 B12R2.612 c1cc(nc2c1C(CC2)N)Cl AB70096 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,1,0,0|1,0,0]=3 565 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,1,0,0|0,0,0]=2 566 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,1,0,0|1,0,0]=3 568 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,1,0,0|0,0,2]=4 570 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,1,0,0|1,0,0]=3 571 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,1,0,0|1,0,0]=3 572 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,1,0,0|1,0,0]=3 573 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,1,0,0|0,0,2]=4 575 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,1,0,0|1,0,0]=3 576 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,1,0,0|1,0,0]=3 577 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,1,0,0|1,0,0]=3 578 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,1,0,0|0,0,2]=4 580 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,1,0,0|1,0,0]=3 581 B12R2.132 B1(c2cc(ccc2CO1)N)O AB20321 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,1,0,0|1,0,0]=3 585 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.132 c1c(cnc2c1C(CC2)N)Br AB70101 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.132 c1c(cnc2c1C(CC2)N)Cl AB70104 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|0,0,2]=4 589 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,1,0,0|1,0,0]=3 590 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,1,0,0|1,0,0]=3 592 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,1,0,0|1,0,0]=3 593 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|0,0,2]=4 594 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,1,0,0|1,0,0]=3 595 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,1,0,0|1,0,0]=3 597 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,1,0,0|1,0,0]=3 598 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|0,0,2]=4 599 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,1,0,0|1,0,0]=3 600 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,1,0,0|1,0,0]=3 602 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,1,0,0|1,0,0]=3 603 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|1,0,0]=3 604 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|1,0,0]=3 605 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,1,0,1,0,0|1,0,0]=3 606 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,1,0,1,0,0|1,0,0]=3 607 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,1,0,1,0,0|1,0,0]=3 608 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,1,0,0|0,0,2]=4 609 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,1,0,1,0,0|1,0,0]=3 610 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,1,0,1,0,0|1,0,0]=3 611 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|0,0,2]=4 613 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,1,0,1,0,0|1,0,0]=3 614 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,1,0,1,0,0|1,0,0]=3 615 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,1,0,1,0,0|1,0,0]=3 616 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,1,0,0|0,0,2]=4 617 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,1,0,1,0,0|1,0,0]=3 618 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,1,0,1,0,0|1,0,0]=3 620 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,1,0,0|0,0,2]=4 621 B12R2.1282 Cc1cc(ccn1)C2(CC2)N AB66893 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.1282 Cc1cccc(c1)C2(CC2)N AB39572 [0,1,0,1,0,0|1,0,0]=3 623 B12R2.1282 Cc1cccc(n1)C2(CC2)N AB62762 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.1282 Cc1ccnc(c1)C2(CC2)N AB67829 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.1282 c1c(cncc1Br)C2(CC2)N PB33418 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.1282 c1cc(cc(c1)Br)C2(CC2)N AB39557 [0,1,0,1,0,0|1,0,0]=3 627 B12R2.1282 c1cc(cc(c1)Cl)C2(CC2)N AB39559 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.1282 c1cc(cc(c1)F)C2(CC2)N AB39563 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.1282 c1cc(nc(c1)Br)C2(CC2)N AB62770 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.1282 c1cc(nc(c1)Cl)C2(CC2)N AB62768 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.1282 c1cnc(cc1C2(CC2)N)Br AB67277 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.1282 c1cnc(cc1C2(CC2)N)Cl AB67319 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.1282 c1cnc(cc1Cl)C2(CC2)N AB62774 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.1282 c1cnc(cc1F)C2(CC2)N AB68061 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.2313 c1cc(cc(c1)Br)C2COC2 PB34845 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.88 Cc1c(cccn1)C2(CC2)N AB66896 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.88 Cc1ccccc1C2(CC2)N AB39542 [0,1,0,1,0,0|1,0,0]=3 638 B12R2.88 Cc1ccncc1C2(CC2)N AB67830 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.88 c1cc(c(nc1)Br)C2(CC2)N AB67280 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.88 c1cc(c(nc1)Cl)C2(CC2)N AB67320 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.88 c1ccc(c(c1)C2(CC2)N)Br AB39532 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.88 c1ccc(c(c1)C2(CC2)N)Cl AB39536 [0,1,0,1,0,0|1,0,0]=3 643 B12R2.88 c1ccc(c(c1)C2(CC2)N)F AB39534 [0,1,0,1,0,0|1,0,0]=3 644 B12R2.88 c1cncc(c1Cl)C2(CC2)N AB67986 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.88 c1cncc(c1F)C2(CC2)N AB68063 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,1,0,0|0,0,2]=4 647 B8R1.7 CC(c1ccoc1)N AB27902 [1,0,0,0,1,0|2,0,0]=4 648 B8R1.7 CC(c1ccoc1)N AB66830 [1,0,0,0,1,0|2,0,0]=4 649 B8R1.8 CNCc1cccs1 AB13997 [1,0,0,0,1,0|2,0,0]=4 650 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,1,0|2,0,0]=4 651 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|2,0,0]=4 652 B8R1.8 c1ccn(c1)CCBr MB00850 [1,0,0,0,1,0|2,0,0]=4 653 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,1,0|2,0,0]=4 654 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|2,0,0]=4 655 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,0,0,0,0,2|2,0,0]=4