0 B10R1.17 C#CCOc1cccnc1 AB61421 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 C#CCOc1ccncc1 AB61423 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 CNCCc1cccnc1 AB10676 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 CNCCc1ccncc1 AB02055 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.17 c1c(cncn1)CCC=O AB57646 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.17 c1cnc(nc1)CCC=O AB57644 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.17 c1cnccc1CCC=O AB49299 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.17 c1cnccc1CCCN AB43583 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 c1cncnc1CCC=O AB57649 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 CNCc1ccnnc1 PB24326 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CNCc1cnccn1 PB18749 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 CNCc1cncnc1 PB33284 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 CNCc1ncccn1 PB29842 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 c1c(cncn1)CNN PB19654 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 c1cc(nnc1)CNN PB37174 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 c1cnc(cn1)CNN PB20222 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 c1cnc(nc1)CNN PB21406 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 c1cncnc1CCN PB14818 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 c1cnncc1CCN AB62610 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 c1cnncc1CNN PB35490 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [0,1,0,0,0,0|0,0,0]=1 50 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [0,1,0,0,0,0|0,0,0]=1 51 B11R1.1 CNCCc1ccc(cc1)F AB27731 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.1 CNCCc1ccc(cc1)N AB27726 [0,1,0,0,0,0|0,0,0]=1 53 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.1 c1cc(ccc1CCCN)F AB38689 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.1 c1cc(ccc1CCCN)F AB66835 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.1 c1cc(ccc1CCCN)N AB51238 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.1 c1cc(ccc1OCC#N)Cl PB28971 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.16 CCCC(c1cnccn1)N AB27585 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,0,0,0,0|0,0,1]=2 76 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.17 Cc1ccccc1CCC=O AB42260 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.17 Cc1ccccc1CCCN AB38679 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.17 Cc1ccncc1CCCN AB67853 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.17 c1cncc(c1F)CCCN AB68073 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.24 CCCOc1cccc(n1)Br AB05235 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.24 COCOc1cccc(c1)Br AB72137 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.24 Cc1cc(ccn1)CCCN AB55133 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.24 Cc1cccc(c1)CCCN AB38680 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.24 Cc1cccc(c1)CCNC AB27735 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.24 Cc1cccc(n1)CCCN AB55096 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.24 c1cnc(cc1CCCN)Br AB55130 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.24 c1cnc(cc1CCCN)Cl AB55121 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.24 c1cnc(cc1F)CCCN AB68075 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.28 CNCCCc1ccccc1 AB10671 [0,1,0,0,0,0|0,0,0]=1 116 B11R1.28 CNCCOc1ccccn1 AB60653 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.28 c1ccc(cc1)CCCCN AB00942 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.28 c1ccc(cc1)CCCCN AB13248 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.28 c1ccc(cc1)COCCN AB05315 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.28 c1ccc(cc1)NCCCN MB00433 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.28 c1ccnc(c1)OCCCN AB60652 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,1,0,0,0,0|3,0,0]=4 138 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,1,0,0|3,0,0]=4 140 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,1,0,0|0,0,0]=1 141 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,0,0,1,0,0|1,0,1]=3 142 B11R2.1 Cn1ccc2c1nccc2 AB51139 [0,0,0,1,0,0|1,0,2]=4 143 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,0|3,0,0]=4 144 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,1,0,0|3,0,0]=4 145 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|3,0,0]=4 146 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,1,0,0|3,0,0]=4 147 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,1,0,0|2,0,0]=3 148 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,1,0,0|1,0,0]=2 149 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,1,0,0|2,0,0]=3 150 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,1,0,0|2,0,0]=3 151 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,1,0,0|3,0,0]=4 152 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [0,0,0,1,0,0|2,0,1]=4 153 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,1,0,0|2,0,0]=3 154 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [0,0,0,1,0,0|2,0,0]=3 155 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [0,0,0,1,0,0|2,0,0]=3 156 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [0,0,0,1,0,0|2,0,0]=3 158 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,0,0,1,0,0|3,0,0]=4 159 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,0,0,1,0,0|1,0,0]=2 160 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,0,0,1,0,0|1,0,0]=2 161 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,0,0,1,0,0|0,0,2]=3 162 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [0,0,0,1,0,0|2,0,0]=3 164 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,0,0,1,0,0|3,0,0]=4 165 B11R2.20 c1cncc2c1CCNC2 PB10616 [0,0,0,1,0,0|1,0,0]=2 166 B11R2.20 c1cncc2c1CNCC2 AB48928 [0,0,0,1,0,0|1,0,0]=2 167 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,0,0,1,0,0|3,0,0]=4 170 B11R2.238 c1cnccc1OC2CC2 MB19994 [0,0,0,1,0,0|3,0,0]=4 171 B9R1.12 CNCCc1cccs1 AB18501 [0,0,0,0,1,0|1,0,0]=2 172 B9R1.12 CNCCn1cccn1 AB48422 [0,0,0,0,1,0|2,0,0]=3 173 B9R1.12 c1ccn(c1)CCCBr MB00854 [0,0,0,0,1,0|3,0,0]=4 174 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|1,0,0]=3 175 B8R1.2 CNc1ccncn1 AB60623 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 CNc1cncnc1 AB60774 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.2 CNc1ncccn1 AB05135 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 c1c(cncn1)CN PB26277 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.2 c1cc(cnc1)NN AB42924 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 c1cc(cnc1)NN PB18886 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.2 c1cc(nnc1)CN PB29341 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|1,0,0]=3 188 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 c1cnc(nc1)CN CB11589 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.2 c1cnc(nc1)CN PB23443 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.2 c1cnccc1NN PB27392 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 c1cncnc1CN PB10439 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 c1cnncc1CN PB31361 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [1,1,0,0,0,0|0,0,2]=4 198 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [1,1,0,0,0,0|0,0,2]=4 199 B10R1.1 C#CCc1ccc(cc1)F AB61384 [1,1,0,0,0,0|0,0,2]=4 200 B10R1.1 C#CCc1ccc(cc1)I AB73225 [1,1,0,0,0,0|0,0,2]=4 201 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.1 CCNc1ccc(cn1)Br AB51199 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.1 CNCc1ccc(cn1)Br AB49704 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.1 CNCc1ccc(cn1)F AB67668 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.1 CNCc1ccc(cn1)N AB67748 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.1 CNCc1ccc(nc1)Br AB67269 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.1 CNCc1ncc(cn1)Cl AB59174 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.1 Cc1ccc(cn1)CNC AB63786 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.1 Cc1ccc(nc1)CCN AB31467 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.1 Cc1ccc(nc1)CNC AB67504 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.1 Cc1cnc(cn1)CCN AB69468 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.1 Cc1cnc(nc1)CCN AB59260 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.1 Cc1ncc(cn1)CCN AB59372 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.1 c1cc(ccc1CC#N)F AB00175 [1,1,0,0,0,0|0,0,2]=4 225 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|0,0,0]=2 231 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|0,0,0]=2 232 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|0,0,0]=2 233 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|0,0,0]=2 234 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.1 c1cc(ccc1CNN)Br PB32548 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.1 c1cc(ccc1CNN)F PB20964 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.1 c1cc(ncc1Br)CCN PB20258 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.1 c1cc(ncc1F)CCN AB45484 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.1 c1cc(ncc1N)CCN AB67762 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.1 c1cc(ncc1O)CCN AB67805 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.4 CCCc1cncnc1Cl AB55649 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.4 CCOc1ccncc1Br MB01009 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.4 CNCc1c(cccn1)F PB12566 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.4 CNCc1cccnc1Cl AB53845 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.4 CNCc1cnccc1Br AB67968 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.4 CNCc1cnccc1Cl AB67984 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.4 CNCc1cnccc1F AB68060 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.4 Cc1ccncc1CNC AB67828 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|0,0,2]=4 270 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|0,0,2]=4 271 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|0,0,0]=2 273 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.4 c1cncc(c1F)CCN AB55177 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,1,0,0,0,0|0,0,2]=4 280 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,1,0,0,0,0|0,0,2]=4 281 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,1,0,0,0,0|0,0,2]=4 282 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.10 CCOc1cc(ccn1)Br AB05209 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.10 CCOc1cc(ccn1)N AB05301 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.10 CCOc1cccc(n1)Br AB05279 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.10 CCOc1cccc(n1)N AB05302 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.10 CCOc1ccnc(c1)N AB09620 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.10 CNCc1cc(ccn1)Br AB40680 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.10 CNCc1cc(ccn1)F AB68057 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.10 CNCc1cc(ccn1)N AB40666 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.10 CNCc1cc(cnc1)Br AB41067 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.10 CNCc1cc(cnc1)F AB67670 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.10 CNCc1cc(cnc1)N AB67751 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.10 CNCc1cccc(n1)Br AB48344 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.10 CNCc1cccc(n1)Cl AB67315 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.10 CNCc1cccc(n1)F AB72833 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.10 CNCc1ccnc(c1)Br AB67272 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.10 Cc1cc(ccn1)CCN AB55165 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.10 Cc1cc(ccn1)CNC AB53841 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.10 Cc1cc(cnc1)CNC AB67507 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.10 Cc1cc(ncn1)CCN AB64311 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.10 Cc1cccc(n1)CCN AB17067 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.10 Cc1cccc(n1)CNC AB01381 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.10 Cc1ccnc(c1)CNC AB52584 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.10 Cc1ccnc(n1)CCN AB59280 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.10 c1c(cncc1Br)CNN PB37854 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.10 c1c(cncc1F)CCN AB55166 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.10 c1c(cncc1N)CCN AB67760 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,1,0,0,0,0|0,0,2]=4 321 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,1,0,0,0,0|0,0,2]=4 330 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|0,0,0]=2 331 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|0,0,2]=4 332 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.10 c1cnc(cc1Br)CCN AB55853 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 c1cnc(cc1CCBr)F AB72866 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.10 c1cnc(cc1CCN)Br AB45468 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.10 c1cnc(cc1CCN)F AB55184 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.10 c1cnc(cc1F)CCN AB55195 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.10 c1cnc(nc1N)CCN AB59298 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.10 c1cnc(nc1O)CCN AB59283 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.15 CC(c1cccnc1)NC CB11165 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.15 CCC(c1cnccn1)N PB31632 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|0,0,0]=2 354 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.18 CC(C)Oc1ccccn1 AB63711 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.18 CC(Cc1cnccn1)N AB28467 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|0,0,0]=2 369 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,1,0,0,0,0|0,0,1]=3 370 B12R1.1 CNCCCc1ccc(cc1)Br AB38786 [0,2,0,0,0,0|0,0,0]=2 371 B12R1.1 CNCCCc1ccc(cc1)Cl AB38779 [0,2,0,0,0,0|0,0,0]=2 372 B12R1.1 CNCCCc1ccc(cc1)F AB38773 [0,2,0,0,0,0|0,0,0]=2 373 B12R1.1 COCCOc1ccc(cc1)O AB19320 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.1 Cc1ccc(cc1)CCCNC AB38761 [0,2,0,0,0,0|0,0,0]=2 375 B12R1.1 c1cc(ccc1CCCCN)Cl AB54564 [0,2,0,0,0,0|1,0,0]=3 376 B12R1.1 c1cc(ccc1CCCCN)F AB54561 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.16 c1cc(ccc1C(CCO)N)Br AB20223 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.16 c1cc(ccc1C(CCO)N)Cl AB14423 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.16 c1cc(ccc1C(CCO)N)F AB14430 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [0,2,0,0,0,0|0,0,0]=2 386 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,2,0,0,0,0|1,0,1]=4 394 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,2,0,0,0,0|1,0,1]=4 395 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,2,0,0,0,0|1,0,1]=4 396 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,2,0,0,0,0|1,0,1]=4 397 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.49 c1cc(ccc1CC(C#N)O)F AB13917 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.69 c1cc(c(cc1Cl)Cl)CCCN AB38717 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.69 c1cc(c(cc1F)F)CCCN AB38723 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.71 CCc1ccc(cc1)CCCN AB38698 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [0,2,0,0,0,0|0,0,0]=2 404 B12R1.71 CNCCc1ccc(cn1)OC AB73196 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.71 COc1ccc(cc1)CCCN AB07604 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.71 COc1ccc(cc1)CCCO AB00287 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.385 c1cc(c(cc1CCCN)F)F AB38731 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.30 CN(CCCN)c1ccccc1 AB04605 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.30 CNCCC(c1ccccc1)O AB06932 [0,2,0,0,0,0|0,0,0]=2 411 B12R1.34 COC(=O)[C@@H](c1ccccc1)Br AB70356 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.39 c1ccc(cc1)C(CCN)(F)F AB68672 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl AB14424 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.25 c1cc(c(c(c1)Cl)Cl)CCCN AB38716 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.25 c1cc(c(c(c1)F)F)CCCN AB38719 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.121 COc1ccccc1CCC=O AB42265 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.121 COc1ccccc1CCCN AB07599 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.267 CNCCCc1ccccc1Br AB38782 [0,2,0,0,0,0|0,0,0]=2 426 B12R1.267 CNCCCc1ccccc1Cl AB38777 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.267 CNCCCc1ccccc1F AB38765 [0,2,0,0,0,0|0,0,0]=2 428 B12R1.267 Cc1ccccc1CCCNC AB38758 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.374 c1cc(c(cc1F)CCCN)F AB38727 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.1631 c1cc(c(c(c1)F)CCCN)F AB38728 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.28 CNCCCc1cccc(c1)Br AB38785 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.28 CNCCCc1cccc(c1)Cl AB38778 [0,2,0,0,0,0|0,0,0]=2 436 B12R1.28 CNCCCc1cccc(c1)F AB38769 [0,2,0,0,0,0|0,0,0]=2 437 B12R1.28 Cc1cccc(c1)CCCNC AB38759 [0,2,0,0,0,0|0,0,0]=2 438 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.100 c1c(cc(cc1F)F)CCCN AB38735 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.382 CNCCc1cccc(c1)OC AB09810 [0,2,0,0,0,0|0,0,0]=2 454 B12R1.382 COc1cccc(c1)CCC=O AB42268 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.382 COc1cccc(c1)CCCN AB07601 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.8 c1ccc(cc1)CCCCCN AB07613 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.8 c1ccc(cc1)COCCCN AB30616 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.891 CC(C)(CCc1ccccc1)N AB03652 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl AB20716 [0,2,0,0,0,0|2,0,0]=4 473 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [1,0,0,1,0,0|2,0,0]=4 474 B10R2.7 c1c2c(ncn1)CNC2 PB18873 [1,0,0,1,0,0|2,0,0]=4 475 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [1,0,0,1,0,0|2,0,0]=4 476 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [1,0,0,1,0,0|1,0,0]=3 477 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|1,0,0]=3 478 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|0,0,0]=2 479 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|1,0,0]=3 480 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,1,0,0|2,0,0]=4 481 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [1,0,0,1,0,0|2,0,0]=4 482 B10R2.7 c1cncc2c1CNC2 AB30511 [1,0,0,1,0,0|1,0,0]=3 483 B10R2.7 c1cncc2c1CNC2 PB24193 [1,0,0,1,0,0|1,0,0]=3 484 B12R2.24 C1CNCC2=CCC(=O)N=C21 AB56422 [0,1,0,1,0,0|1,0,1]=4 485 B12R2.24 C1CNCC2=NC(=O)CC=C21 AB68874 [0,1,0,1,0,0|1,0,1]=4 486 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,1,0,1,0,0|2,0,0]=4 487 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,1,0,1,0,0|0,0,0]=2 489 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,1,0,1,0,0|0,0,0]=2 490 B12R2.24 Cc1cc2c(cn1)CCNC2 AB68344 [0,1,0,1,0,0|1,0,0]=3 491 B12R2.24 Cc1cc2c(cn1)CNCC2 AB84973 [0,1,0,1,0,0|1,0,0]=3 492 B12R2.24 Cc1cc2c(nc1)CCNC2 AB50085 [0,1,0,1,0,0|1,0,0]=3 493 B12R2.24 Cc1cc2c(nc1)CNCC2 AB73904 [0,1,0,1,0,0|1,0,0]=3 494 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [0,1,0,1,0,0|0,0,0]=2 495 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [0,1,0,1,0,0|0,0,0]=2 496 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.24 Cc1ccc2c(n1)CCNC2 AB68625 [0,1,0,1,0,0|1,0,0]=3 498 B12R2.24 Cc1ccc2c(n1)CNCC2 AB70133 [0,1,0,1,0,0|1,0,0]=3 499 B12R2.24 Cc1cnc2c(n1)CCNC2 AB73936 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.24 Cc1ncc2c(n1)CCNC2 AB49580 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.24 c1c(cnc2c1CCNC2)Br PB15141 [0,1,0,1,0,0|1,0,0]=3 502 B12R2.24 c1c(cnc2c1CCNC2)Cl AB68785 [0,1,0,1,0,0|1,0,0]=3 503 B12R2.24 c1c(cnc2c1CCNC2)F AB68784 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.24 c1c(cnc2c1CNCC2)Br PB26297 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.24 c1c(cnc2c1CNCC2)Cl AB57080 [0,1,0,1,0,0|1,0,0]=3 506 B12R2.24 c1c(cnc2c1CNCC2)F AB68762 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.24 c1c(cnc2c1CNCC2)O AB44464 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.24 c1c(cnc2c1COCC2)Br AB68708 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.24 c1c(cnc2c1COCC2)Cl AB68766 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.24 c1c(cnc2c1COCC2)F AB68764 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.24 c1c(cnc2c1COCC2)N AB66643 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.24 c1c(nc2c(n1)CCNC2)Cl AB73934 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.24 c1c(nc2c(n1)CNCC2)Br AB77044 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.24 c1c(nc2c(n1)CNCC2)Cl AB73933 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.24 c1c2c(cnc1Br)CNCC2 AB84966 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.24 c1c2c(cnc1Cl)CCNC2 AB68340 [0,1,0,1,0,0|1,0,0]=3 517 B12R2.24 c1c2c(cnc1Cl)CCNC2 AB72086 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.24 c1c2c(cnc1Cl)CNCC2 AB68873 [0,1,0,1,0,0|1,0,0]=3 519 B12R2.24 c1c2c(nc(n1)Cl)CCNC2 PB29662 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.24 c1c2c(nc(n1)Cl)CNCC2 AB68617 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.24 c1c2c(nc(n1)N)CCNC2 AB45334 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.24 c1c2c(nnc1Cl)CCNC2 PB34607 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.24 c1cc(nc2c1CCCC2)O AB62868 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.24 c1cc(nc2c1CCNC2)Cl AB68870 [0,1,0,1,0,0|1,0,0]=3 525 B12R2.24 c1cc(nc2c1CNCC2)Br AB51055 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.24 c1cc(nc2c1CNCC2)Cl AB56356 [0,1,0,1,0,0|1,0,0]=3 527 B12R2.24 c1cc(nc2c1CNCC2)N AB64766 [0,1,0,1,0,0|1,0,0]=3 528 B12R2.24 c1cc(nc2c1COCC2)Cl AB73482 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.24 c1cc(nc2c1COCC2)N AB73486 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.24 c1cc2c(cc1Br)CCNC2 MB05621 [0,1,0,1,0,0|0,0,0]=2 533 B12R2.24 c1cc2c(cc1Br)CCNC2 PB30910 [0,1,0,1,0,0|0,0,0]=2 534 B12R2.24 c1cc2c(cc1Br)CCOC2 MB09745 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.24 c1cc2c(cc1Br)CNCC2 PB18756 [0,1,0,1,0,0|0,0,0]=2 536 B12R2.24 c1cc2c(cc1Br)NCCC2 PB12525 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.24 c1cc2c(cc1Cl)CCNC2 AB28730 [0,1,0,1,0,0|0,0,0]=2 539 B12R2.24 c1cc2c(cc1Cl)CNCC2 AB22480 [0,1,0,1,0,0|0,0,0]=2 540 B12R2.24 c1cc2c(cc1Cl)NCCC2 MB06330 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.24 c1cc2c(cc1F)CCNC2 AB28734 [0,1,0,1,0,0|0,0,0]=2 544 B12R2.24 c1cc2c(cc1F)CCOC2 MB09734 [0,1,0,1,0,0|1,0,0]=3 545 B12R2.24 c1cc2c(cc1F)CNCC2 AB13380 [0,1,0,1,0,0|0,0,0]=2 546 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.24 c1cc2c(cc1N)C=NCC2 AB44239 [0,1,0,1,0,0|0,0,2]=4 548 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.24 c1cc2c(cc1N)CCNC2 AB19115 [0,1,0,1,0,0|0,0,0]=2 550 B12R2.24 c1cc2c(cc1N)CCOC2 MB07027 [0,1,0,1,0,0|1,0,0]=3 551 B12R2.24 c1cc2c(cc1N)CNCC2 AB21317 [0,1,0,1,0,0|0,0,0]=2 552 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [0,1,0,1,0,0|0,0,0]=2 553 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [0,1,0,1,0,0|0,0,0]=2 554 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,1,0,1,0,0|1,0,1]=4 555 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,1,0,1,0,0|0,0,1]=3 558 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,1,0,1,0,0|1,0,0]=3 561 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,1,0,1,0,0|0,0,0]=2 562 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,1,0,1,0,0|1,0,1]=4 565 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,1,0,1,0,0|1,0,1]=4 566 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,1,0,1,0,0|2,0,0]=4 567 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,1,0,1,0,0|2,0,0]=4 568 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,1,0,0|0,0,0]=2 570 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,1,0,0|2,0,0]=4 572 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.132 Cn1c2cc(ccc2cn1)Br PB22316 [0,1,0,1,0,0|1,0,1]=4 574 B12R2.132 Cn1c2cc(ccc2cn1)Cl MB11448 [0,1,0,1,0,0|1,0,1]=4 575 B12R2.132 Cn1c2cc(ccc2cn1)F MB11451 [0,1,0,1,0,0|1,0,1]=4 576 B12R2.132 Cn1c2cc(ccc2cn1)I MB11454 [0,1,0,1,0,0|1,0,1]=4 577 B12R2.132 Cn1c2cc(ccc2cn1)N PB21697 [0,1,0,1,0,0|1,0,1]=4 578 B12R2.132 Cn1c2cc(ccc2cn1)O MB01167 [0,1,0,1,0,0|1,0,1]=4 579 B12R2.132 Cn1ccc2c1cc(cc2)N AB55988 [0,1,0,1,0,0|0,0,2]=4 580 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.294 Cc1ccc(cc1)OC2CC2 MB35889 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.294 c1cc(ccc1N)OC2CC2 MB11809 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.294 c1cc(ccc1OC2CC2)Br MB06312 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.294 c1cc(ccc1OC2CC2)Cl MB49590 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.294 c1cc(ccc1OC2CC2)F MB37870 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.294 c1cc(ccc1OC2CC2)I MB25540 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.2 c1cc(cnc1)C2CCCN2 AB01223 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [0,1,0,1,0,0|1,0,0]=3 603 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [0,1,0,1,0,0|1,0,0]=3 604 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [0,1,0,1,0,0|0,0,0]=2 605 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [0,1,0,1,0,0|0,0,0]=2 606 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [0,1,0,1,0,0|1,0,0]=3 607 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [0,1,0,1,0,0|0,0,0]=2 608 B12R2.2 c1ccnc(c1)C2CCCN2 PB23261 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.2 c1ccnc(c1)C2CCNC2 AB10236 [0,1,0,1,0,0|1,0,0]=3 610 B12R2.2 c1ccnc(c1)[C@@H]2CCCN2 AB39377 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.2 c1cnc(nc1)C2CCNC2 AB58641 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.2 c1cnccc1C2CCCN2 AB10234 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.2 c1cnccc1C2CCNC2 AB10240 [0,1,0,1,0,0|1,0,0]=3 614 B12R2.2 c1cnccc1[C@@H]2CCCN2 AB49753 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.2 c1cnccc1[C@H]2CCCN2 AB49756 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,1,0,1,0,0|1,0,0]=3 617 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,1,0,1,0,0|1,0,0]=3 621 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,1,0,1,0,0|1,0,0]=3 622 B12R2.116 c1cc(cnc1)C2(CCC2)N AB55049 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.116 c1cc(cnc1)C2(COC2)N AB82488 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.116 c1ccc(cc1)C2(CCC2)N AB45250 [0,1,0,1,0,0|1,0,0]=3 625 B12R2.116 c1ccc(cc1)C2(CNC2)O PB24509 [0,1,0,1,0,0|0,0,0]=2 626 B12R2.116 c1ccc(cc1)C2(COC2)N PB24350 [0,1,0,1,0,0|1,0,0]=3 627 B12R2.116 c1ccc(cc1)C2(COC2)O PB13884 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.116 c1ccnc(c1)C2(COC2)N AB82501 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.116 c1cnccc1C2(CCC2)N AB55050 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.116 c1cnccc1C2(COC2)N AB82494 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.235 c1ccc(cc1)[C@@]2(C[C@@H]2F)N MB69379 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.235 c1ccc(cc1)[C@@]2(C[C@H]2N)F MB69387 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,1,0,1,0,0|0,0,0]=2 634 B12R2.1081 Cc1c2c(ccn1)CCNC2 AB84970 [0,1,0,1,0,0|1,0,0]=3 635 B12R2.1081 Cc1c2c(ccn1)CNCC2 AB84983 [0,1,0,1,0,0|1,0,0]=3 636 B12R2.1081 Cc1c2c(ncn1)CCNC2 AB59025 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.1081 c1[nH]c(=O)c2c(n1)CNCC2 AB49113 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.1081 c1c2c(c(cn1)Br)CCNC2 AB76671 [0,1,0,1,0,0|1,0,0]=3 639 B12R2.1081 c1c2c(c(cn1)Cl)CCNC2 AB84975 [0,1,0,1,0,0|1,0,0]=3 640 B12R2.1081 c1cc2c(c(c1)Br)CCCC2 MB06103 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 PB31290 [0,1,0,1,0,0|2,0,0]=4 642 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 PB22176 [0,1,0,1,0,0|0,0,0]=2 643 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 PB28128 [0,1,0,1,0,0|0,0,0]=2 644 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 MB06321 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 AB45748 [0,1,0,1,0,0|0,0,0]=2 646 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 MB03608 [0,1,0,1,0,0|0,0,0]=2 647 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 AB45195 [0,1,0,1,0,0|0,0,0]=2 648 B12R2.1081 c1cc2c(c(c1)N)CCNC2 AB12578 [0,1,0,1,0,0|0,0,0]=2 649 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,1,0,1,0,0|1,0,1]=4 650 B12R2.1081 c1cc2c(nc1)C(CCC2)N MB05927 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.1081 c1cc2c(nc1)CCCC2N PB24835 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,1,0,1,0,0|1,0,1]=4 653 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,1,0,1,0,0|1,0,0]=3 659 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,1,0,0|0,0,1]=3 660 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,1,0,0|0,0,1]=3 662 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,1,0,1,0,0|1,0,0]=3 665 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,1,0,1,0,0|2,0,0]=4 666 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.1081 c1cnc(c2c1CCNC2)Br AB84969 [0,1,0,1,0,0|1,0,0]=3 668 B12R2.1081 c1cnc(c2c1CCNC2)Cl AB75339 [0,1,0,1,0,0|1,0,0]=3 669 B12R2.1081 c1cnc(c2c1CNCC2)Cl AB56101 [0,1,0,1,0,0|1,0,0]=3 670 B12R2.1081 c1cnc2c(c1Br)CCNC2 AB73915 [0,1,0,1,0,0|1,0,0]=3 671 B12R2.1081 c1cnc2c(c1Br)CNCC2 AB73923 [0,1,0,1,0,0|1,0,0]=3 672 B12R2.1081 c1cnc2c(c1Br)COCC2 AB73481 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.1081 c1cnc2c(c1Cl)CCNC2 AB73916 [0,1,0,1,0,0|1,0,0]=3 674 B12R2.1081 c1cnc2c(c1Cl)CNCC2 AB73925 [0,1,0,1,0,0|1,0,0]=3 675 B12R2.1081 c1cnc2c(c1N)COCC2 AB71964 [0,1,0,1,0,0|2,0,0]=4 676 B12R2.1081 c1cnc2c(c1O)CCNC2 AB73921 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.1081 c1cnc2c(c1O)COCC2 AB73489 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.1081 c1cncc2c1C(CCC2)N MB05957 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.1081 c1cncc2c1CCCC2N MB05952 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [0,1,0,1,0,0|1,0,1]=4 682 B12R2.1081 c1nc2c(c(n1)Cl)CCNC2 AB64232 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.1081 c1nc2c(c(n1)Cl)CNCC2 PB17767 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.2028 Cn1c2ccccc2c(n1)Br PB19317 [0,1,0,1,0,0|1,0,1]=4 685 B12R2.2028 Cn1c2ccccc2c(n1)I PB31461 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.2028 Cn1cc(c2c1cccc2)Br MB09274 [0,1,0,1,0,0|0,0,2]=4 687 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,1,0,0|2,0,0]=4 689 B12R2.2075 c1ccc(cc1)C(C2CC2)N CB10839 [0,1,0,1,0,0|1,0,0]=3 690 B12R2.32 CNc1nc2ccccc2s1 AB01569 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,1,0,1,0,0|2,0,0]=4 696 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,1,0,1,0,0|2,0,0]=4 697 B12R2.196 Cn1c2cccc(c2cn1)Br PB23714 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.196 Cn1c2cccc(c2cn1)F MB09182 [0,1,0,1,0,0|1,0,1]=4 699 B12R2.196 Cn1c2cccc(c2cn1)I PB34667 [0,1,0,1,0,0|1,0,1]=4 700 B12R2.196 Cn1c2cccc(c2cn1)N PB22298 [0,1,0,1,0,0|1,0,1]=4 701 B12R2.196 Cn1c2cccc(c2cn1)O MB10366 [0,1,0,1,0,0|1,0,1]=4 702 B12R2.196 Cn1ccc2c1cccc2N AB43235 [0,1,0,1,0,0|0,0,2]=4 703 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,1,0,1,0,0|2,0,0]=4 710 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,1,0,1,0,0|2,0,0]=4 711 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,1,0,0|2,0,0]=4 712 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,1,0,1,0,0|2,0,0]=4 713 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,1,0,1,0,0|2,0,0]=4 714 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,1,0,1,0,0|2,0,0]=4 715 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,1,0,0|2,0,0]=4 716 B12R2.225 Cc1ccccc1OC2CC2 MB25701 [0,1,0,1,0,0|2,0,0]=4 717 B12R2.225 c1ccc(c(c1)N)OC2CC2 MB20137 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.225 c1ccc(c(c1)O)OC2CC2 MB06816 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.225 c1ccc(c(c1)OC2CC2)Br MB25567 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.225 c1ccc(c(c1)OC2CC2)Cl MB36032 [0,1,0,1,0,0|2,0,0]=4 721 B12R2.225 c1ccc(c(c1)OC2CC2)F MB26509 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.225 c1ccc(c(c1)OC2CC2)I MB32394 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.203 Cn1c2c(cccc2Br)cn1 PB34460 [0,1,0,1,0,0|1,0,1]=4 724 B12R2.203 Cn1c2c(cccc2F)cn1 MB11997 [0,1,0,1,0,0|1,0,1]=4 725 B12R2.203 Cn1c2c(cccc2N)cn1 PB13181 [0,1,0,1,0,0|1,0,1]=4 726 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,1,0,0|0,0,0]=2 728 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,1,0,0|2,0,0]=4 729 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,1,0,0|2,0,0]=4 730 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,1,0,0|2,0,0]=4 731 B12R2.612 Cn1c2ccc(cc2cn1)Br PB22315 [0,1,0,1,0,0|1,0,1]=4 732 B12R2.612 Cn1c2ccc(cc2cn1)I MB11460 [0,1,0,1,0,0|1,0,1]=4 733 B12R2.612 Cn1c2ccc(cc2cn1)N PB29249 [0,1,0,1,0,0|1,0,1]=4 734 B12R2.612 Cn1c2ccc(cc2cn1)S MB69216 [0,1,0,1,0,0|1,0,1]=4 735 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,1,0,0|2,0,0]=4 737 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,1,0,0|2,0,0]=4 738 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,1,0,0|2,0,0]=4 739 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.1286 Cc1cccc(c1)OC2CC2 MB37981 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.1286 c1cc(cc(c1)Br)OC2CC2 MB25628 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.1286 c1cc(cc(c1)Cl)OC2CC2 MB35340 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.1286 c1cc(cc(c1)F)OC2CC2 MB25673 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.1286 c1cc(cc(c1)I)OC2CC2 MB38226 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.1286 c1cc(cc(c1)OC2CC2)N MB11814 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.1286 c1cc(cc(c1)OC2CC2)O MB20161 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.1286 c1cc(cc(c1)S)OC2CC2 MB20192 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.2313 c1cc(cc(c1)Br)C2COC2 PB34845 [0,1,0,1,0,0|1,0,0]=3 758 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,1,0,1,0,0|0,0,0]=2 759 B12R2.1 CNC1CCc2c1cccn2 AB70125 [0,1,0,1,0,0|1,0,0]=3 760 B12R2.1 CNC1COc2c1cccn2 AB70122 [0,1,0,1,0,0|1,0,0]=3 761 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [0,1,0,1,0,0|1,0,1]=4 763 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,1,0,1,0,0|1,0,0]=3 764 B12R2.2057 c1cc(cnc1)OCC2CC2 MB19960 [0,1,0,1,0,0|2,0,0]=4 765 B12R2.2058 c1cc(cnc1)OC2CNC2 MB07297 [0,1,0,1,0,0|1,0,0]=3 766 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [0,1,0,1,0,0|0,0,0]=2 767 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [0,1,0,1,0,0|1,0,1]=4 768 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.8 CNCc1cccs1 AB13997 [1,0,0,0,1,0|1,0,0]=3 772 B8R1.8 CNCc1ccno1 AB27949 [1,0,0,0,1,0|2,0,0]=4 773 B8R1.8 CNCc1ccon1 AB27911 [1,0,0,0,1,0|2,0,0]=4 774 B8R1.8 CNCc1ccon1 AB27912 [1,0,0,0,1,0|2,0,0]=4 775 B8R1.8 CNCc1cncs1 AB27956 [1,0,0,0,1,0|2,0,0]=4 776 B8R1.8 CNCc1cnsc1 AB74097 [1,0,0,0,1,0|2,0,0]=4 777 B8R1.8 CNCc1cocn1 AB63386 [1,0,0,0,1,0|2,0,0]=4 778 B8R1.8 CNCc1cscn1 AB27945 [1,0,0,0,1,0|2,0,0]=4 779 B8R1.8 CNCc1cscn1 AB27947 [1,0,0,0,1,0|2,0,0]=4 780 B8R1.8 CNCc1nccs1 AB12715 [1,0,0,0,1,0|2,0,0]=4 781 B8R1.8 c1c(con1)CCN AB28074 [1,0,0,0,1,0|2,0,0]=4 782 B8R1.8 c1c(ncs1)CCN AB45423 [1,0,0,0,1,0|2,0,0]=4 783 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,1,0|1,0,0]=3 784 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|2,0,0]=4 785 B8R1.8 c1cc(sc1)CNN PB12479 [1,0,0,0,1,0|2,0,0]=4 786 B8R1.8 c1ccn(c1)CCBr MB00850 [1,0,0,0,1,0|2,0,0]=4 787 B8R1.8 c1cn(cn1)CCN AB13191 [1,0,0,0,1,0|2,0,0]=4 788 B8R1.8 c1cnn(c1)CCN AB15836 [1,0,0,0,1,0|2,0,0]=4 789 B8R1.8 c1csc(n1)CCN AB28436 [1,0,0,0,1,0|2,0,0]=4 790 B8R1.8 c1csc(n1)CCN AB43209 [1,0,0,0,1,0|2,0,0]=4 791 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,1,0|1,0,0]=3 792 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|2,0,0]=4 793 B8R1.8 c1cscc1CNN PB25191 [1,0,0,0,1,0|2,0,0]=4