0 B13R2.292 CCCC1NCCc2ccoc21 Amb32647841 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.292 CCCC1NCCc2ccsc21 Amb25699946 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.292 CCCC1NCCc2occc21 Amb27239837 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.292 CCCC1NCCc2sccc21 Amb17233858 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.292 CCCC1NCCn2cccc21 Amb2721868 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.292 CCC[C@@H]1NCCn2cccc21 Amb27403464 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.292 CCC[C@H]1NCCn2cccc21 Amb27635796 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.292 CNCC1CCCc2ccoc21 Amb27638495 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.292 CNCC1CCCc2conc21 Amb27625169 [0,0,0,0,0,0|2,1,0]=3 9 B13R2.292 CNCC1CCCc2ncoc21 Amb27669972 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.292 CNCC1CCCc2ocnc21 Amb27625167 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.292 CNCC1CCCn2cncc21 Amb25942817 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.292 CNCC1CCCn2cnnc21 Amb28129925 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.292 CNCC1OCCc2ccsc21 Amb27777370 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.292 CNCC1OCCc2sccc21 Amb25773556 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.292 CNC[C@@H]1CCCc2sccc21 Amb27777316 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.292 COCC1NCCc2ccoc21 Amb32647660 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.292 COCC1NCCc2ccsc21 Amb25707376 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.292 COCC1NCCc2occc21 Amb29852940 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.292 COCC1NCCc2sccc21 Amb23512800 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.292 OCCC1OCCc2sccc21 Amb28280528 [0,0,0,0,0,0|4,0,0]=4 21 B12R2.315 CCC1NCCc2ccoc21 Amb32647803 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.315 CCC1NCCc2ccsc21 Amb25281361 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.315 CCC1NCCc2occc21 Amb32647471 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.315 CCC1NCCc2sccc21 Amb52093 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.315 CCC1NCCc2sccc21 Amb9703887 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.315 CCC1NCCn2cccc21 Amb13948970 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.315 CCC1NCCn2cccc21 Amb3941173 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.315 CCC1OCCn2cccc21 Amb27945400 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.315 CNC1CCCc2cnoc21 Amb27795161 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.315 CNC1CCCc2conc21 Amb27441529 [1,0,0,0,0,0|2,1,0]=4 31 B12R2.315 CNC1CCCc2occc21 Amb27839752 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.315 COC1OCCc2occc21 Amb27823280 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.315 NCC1CCCc2cncn21 Amb25217887 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.315 NCC1CCCc2cnoc21 Amb18201342 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.315 NCC1CCCc2cnsc21 Amb18199189 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.315 NCC1CCCc2cocc21 Amb27419823 [1,0,0,0,0,0|1,1,0]=3 37 B12R2.315 NCC1CCCc2sccc21 Amb18948477 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.315 NCC1CCCn2cccc21 Amb25144105 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.315 NCC1CCCn2cncc21 Amb26571574 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.315 NCC1OCCc2ccsc21 Amb20667880 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.315 NCC1OCCc2ccsc21 Amb33482903 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.315 NCC1OCCc2sccc21 Amb2724104 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.315 NCC1OCCc2sccc21 Amb32683433 [1,0,0,0,0,0|2,0,0]=3 44 B12R2.315 NC[C@@H]1OCCc2ccsc21 Amb27976114 [1,0,0,0,0,0|2,0,0]=3 45 B12R2.315 NC[C@H]1OCCc2ccsc21 Amb28055840 [1,0,0,0,0,0|2,0,0]=3 46 B14R2.892 CCNCC1CCCc2sccc21 Amb27258658 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.892 CCNCC1CCCn2cncc21 Amb33328503 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.892 CCNCC1OCCc2sccc21 Amb25075138 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.6188 CN1CCc2cscc2C1CCN Amb18188741 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.9440 CN(C)CC1NCCc2ccsc21 Amb27610089 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.9440 CN(C)CC1NCCc2occc21 Amb27409136 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.9440 O=C(O)CC1NCCc2cscc21 Amb18188476 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.37 CCCCCCCc1ccsc1 Amb8515180 [0,0,1,0,0,0|2,0,0]=3 54 B12R1.37 CCCCCNCc1ccsc1 Amb5262475 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.37 COCCCNCc1ccsc1 Amb6730184 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.37 NCCCCCCc1ccsc1 Amb33320899 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.37 NCCCOCCc1ccsc1 Amb32953622 [0,0,1,0,0,0|2,0,0]=3 58 B12R1.37 O=CCCCCCc1ccsc1 Amb33320896 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.293 CCOC(OCC)c1ccoc1 Amb10975864 [0,0,1,0,0,0|2,1,0]=4 60 B12R1.316 CCc1ccsc1C(O)CNC Amb18822339 [0,0,1,0,0,0|2,0,0]=3 61 B12R1.316 CCn1ccnc1C(O)CNC Amb33449091 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.316 CCn1cncc1C(O)CNC Amb33080145 [0,0,1,0,0,0|2,0,0]=3 63 B12R1.316 CCn1nccc1C(O)CNC Amb32708815 [0,0,1,0,0,0|3,0,0]=4 64 B14R3.164 C1Cn2nnc3c2C(CNC3)O1 Amb28286144 [0,0,0,1,0,0|3,0,0]=4 65 B14R3.164 c1cn2c3c1CNCC3CCC2 Amb18829569 [0,0,0,1,0,0|3,0,0]=4 66 B14R3.164 c1nc2c3n1CCOC3CNC2 Amb27470816 [0,0,0,1,0,0|2,0,0]=3 67 B12R2.144 CNCC1CCc2ccoc21 Amb27419822 [0,0,0,0,1,0|2,0,0]=3 68 B12R2.144 CNCC1CCc2occc21 Amb27963175 [0,0,0,0,1,0|2,0,0]=3 69 B12R2.144 CNCC1CCc2snnc21 Amb27441992 [0,0,0,0,1,0|3,0,0]=4 70 B12R2.144 NCCC1CCc2cscc21 Amb28368597 [0,0,0,0,1,0|2,0,0]=3 71 B14R2.7150 CCCC1NCCc2ccccc21 Amb18961209 [0,0,0,0,0,1|3,0,0]=4 72 B14R2.7150 CCCC1NCCc2ccccc21 Amb33330006 [0,0,0,0,0,1|3,0,0]=4 73 B14R2.7150 CCOC1OCCc2ccccc21 Amb27809060 [0,0,0,0,0,1|3,0,0]=4 74 B14R2.7150 CNCC1CCCc2ccccc21 Amb9513978 [0,0,0,0,0,1|2,0,0]=3 75 B14R2.7150 CNCC1CCOc2ccccc21 Amb28368905 [0,0,0,0,0,1|3,0,0]=4 76 B14R2.7150 CNCC1COCc2ccccc21 Amb27952698 [0,0,0,0,0,1|3,0,0]=4 77 B14R2.7150 CNCC1NCCc2ccccc21 Amb18956501 [0,0,0,0,0,1|2,0,0]=3 78 B14R2.7150 CNCC1OCCc2ccccc21 Amb33528353 [0,0,0,0,0,1|1,0,0]=2 79 B14R2.7150 CNCC1OCCc2ccccc21 Amb4422666 [0,0,0,0,0,1|1,0,0]=2 80 B14R2.7150 COCC1NCCc2ccccc21 Amb29848144 [0,0,0,0,0,1|3,0,0]=4 81 B14R2.7150 N#CCC1OCCc2ccccc21 Amb24469848 [0,0,0,0,0,1|3,0,0]=4 82 B14R2.7150 NCCC1OCCc2ccccc21 Amb22642244 [0,0,0,0,0,1|3,0,0]=4 83 B14R2.7150 NNCC1CCCc2ccccc21 Amb18804591 [0,0,0,0,0,1|3,0,0]=4 84 B14R2.7150 NNCC1OCCc2ccccc21 Amb27483940 [0,0,0,0,0,1|2,0,0]=3 85 B14R2.7150 OCC[C@@H]1OCCc2ccccc21 Amb22757041 [0,0,0,0,0,1|3,0,0]=4 86 B14R2.7150 OCC[C@H]1OCCc2ccccc21 Amb27752370 [0,0,0,0,0,1|3,0,0]=4 87 B14R2.7150 ONCC1CCCc2ccccc21 Amb33375765 [0,0,0,0,0,1|3,0,0]=4 88 B11R1.4 BrCCCCCc1ccsc1 Amb33009453 [1,0,1,0,0,0|2,0,0]=4 89 B11R1.4 C#CCCCCc1ccsc1 Amb33320901 [1,0,1,0,0,0|1,0,1]=4 90 B11R1.4 CCCCCCc1ccsc1 Amb2696630 [1,0,1,0,0,0|1,0,0]=3 91 B11R1.4 CCCCNCc1ccsc1 Amb5262468 [1,0,1,0,0,0|2,0,0]=4 92 B11R1.4 CCCCNCc1ccsc1 Amb6868332 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.4 CNCCC#Cc1ccsc1 Amb35738499 [1,0,1,0,0,0|0,0,2]=4 94 B11R1.4 CNCCCCc1ccsc1 Amb33449244 [1,0,1,0,0,0|0,0,0]=2 95 B11R1.4 CNCC\C=C\c1ccsc1 Amb27987211 [1,0,1,0,0,0|0,0,2]=4 96 B11R1.4 COCCCNc1ccsc1 Amb27271393 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.4 COCCNCc1ccsc1 Amb2592471 [1,0,1,0,0,0|2,0,0]=4 98 B11R1.4 COCCNCc1ccsc1 Amb6868352 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.4 CSCCCNc1ccsc1 Amb27271390 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.4 N#CCCCCc1ccsc1 Amb33322016 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.4 NCCCCCc1ccsc1 Amb33079652 [1,0,1,0,0,0|1,0,0]=3 102 B11R1.4 NCCOCCc1ccsc1 Amb33448656 [1,0,1,0,0,0|0,0,0]=2 103 B11R1.4 NCC\C=C\Cc1ccsc1 Amb27987202 [1,0,1,0,0,0|1,0,1]=4 104 B11R1.4 NC\C=C\CCc1ccsc1 Amb33321200 [1,0,1,0,0,0|1,0,1]=4 105 B11R1.4 NOCCCCc1ccsc1 Amb33321650 [1,0,1,0,0,0|2,0,0]=4 106 B11R1.4 O=CCCCCc1ccsc1 Amb33449957 [1,0,1,0,0,0|2,0,0]=4 107 B11R1.4 OCCCCCc1ccsc1 Amb32954776 [1,0,1,0,0,0|2,0,0]=4 108 B11R1.4 SCCCCCc1ccsc1 Amb33484588 [1,0,1,0,0,0|2,0,0]=4 109 B11R1.4 [C-]#[N+]CCCCc1ccsc1 Amb33321990 [1,0,1,0,0,0|0,0,2]=4 110 B11R1.2 CCC(CNC)c1cccs1 Amb17232726 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.2 CCC(CNC)c1cnco1 Amb33295071 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.2 CCCC(NC)c1ccoc1 Amb27266766 [1,0,1,0,0,0|1,1,0]=4 113 B11R1.2 CCCC(NC)c1ccsc1 Amb18793547 [1,0,1,0,0,0|1,0,0]=3 114 B11R1.2 CCCC(NN)c1ccsc1 Amb27671230 [1,0,1,0,0,0|2,0,0]=4 115 B11R1.2 CCNC(CC)c1ccoc1 Amb27266764 [1,0,1,0,0,0|1,1,0]=4 116 B11R1.2 CCNC(CC)c1ccsc1 Amb19033501 [1,0,1,0,0,0|1,0,0]=3 117 B11R1.2 CCNC(CN)c1ccsc1 Amb18806700 [1,0,1,0,0,0|1,0,0]=3 118 B11R1.2 CCOC(C#N)c1ccsc1 Amb28365499 [1,0,1,0,0,0|0,0,2]=4 119 B11R1.2 CCOC(C=O)c1ccsc1 Amb27674238 [1,0,1,0,0,0|1,0,1]=4 120 B11R1.2 CCOC(CN)c1cccs1 Amb18308169 [1,0,1,0,0,0|2,0,0]=4 121 B11R1.2 CCOC(CN)c1ccns1 Amb33034862 [1,0,1,0,0,0|2,0,0]=4 122 B11R1.2 CCOC(CN)c1ccsc1 Amb18308253 [1,0,1,0,0,0|0,0,0]=2 123 B11R1.2 CCOC(CN)c1cncs1 Amb27492341 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.2 CCOC(CN)c1cnsc1 Amb33035096 [1,0,1,0,0,0|1,0,0]=3 125 B11R1.2 CCOC(CN)c1cscn1 Amb24756170 [1,0,1,0,0,0|1,0,0]=3 126 B11R1.2 CCOC(CN)c1csnn1 Amb24750775 [1,0,1,0,0,0|2,0,0]=4 127 B11R1.2 CCSC(CN)c1ccsc1 Amb19015073 [1,0,1,0,0,0|0,1,0]=3 128 B11R1.2 CNC(COC)c1ccsc1 Amb28386755 [1,0,1,0,0,0|2,0,0]=4 129 B11R1.2 CNCC(OC)c1cccs1 Amb18563964 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.2 CNCC(OC)c1ccsc1 Amb27673236 [1,0,1,0,0,0|0,0,0]=2 131 B11R1.2 CNCC(OC)c1cncs1 Amb27674292 [1,0,1,0,0,0|2,0,0]=4 132 B11R1.2 CNCC(OC)c1cscn1 Amb27674294 [1,0,1,0,0,0|1,0,0]=3 133 B11R1.2 CNCC(OC)c1csnn1 Amb27674293 [1,0,1,0,0,0|2,0,0]=4 134 B11R1.168 CCC(CC)c1cscc1Br Amb18160253 [1,0,1,0,0,0|2,0,0]=4 135 B11R1.168 COC(CN)c1ccsc1C Amb25095498 [1,0,1,0,0,0|2,0,0]=4 136 B11R1.168 COC(CN)c1cncn1C Amb25849602 [1,0,1,0,0,0|2,0,0]=4 137 B11R1.168 COC(CN)c1cscc1Br Amb26879719 [1,0,1,0,0,0|1,0,0]=3 138 B11R1.168 COC(CN)c1cscc1Cl Amb33035089 [1,0,1,0,0,0|1,0,0]=3 139 B11R1.168 COC(CN)c1sccc1C Amb18980305 [1,0,1,0,0,0|2,0,0]=4 140 B11R1.168 Cc1cscc1C(CN)CO Amb33146299 [1,0,1,0,0,0|2,0,0]=4 141 B11R1.199 CCCC(O)c1cscc1Br Amb27848919 [1,0,1,0,0,0|2,0,0]=4 142 B11R1.199 CCC[C@@H](N)c1cscc1C Amb27174468 [1,0,1,0,0,0|2,0,0]=4 143 B11R1.199 CCC[C@H](O)c1cscc1C Amb28064210 [1,0,1,0,0,0|1,0,0]=3 144 B11R1.199 CNCC(=O)c1cscc1C Amb26444293 [1,0,1,0,0,0|0,0,2]=4 145 B11R1.199 CNCC(O)c1cccn1C Amb26317821 [1,0,1,0,0,0|2,0,0]=4 146 B11R1.199 CNCC(O)c1ccoc1C Amb33473296 [1,0,1,0,0,0|2,0,0]=4 147 B11R1.199 CNCC(O)c1ccsc1C Amb27826777 [1,0,1,0,0,0|2,0,0]=4 148 B11R1.199 CNCC(O)c1cncn1C Amb25375015 [1,0,1,0,0,0|2,0,0]=4 149 B11R1.199 CNCC(O)c1cnoc1C Amb33361738 [1,0,1,0,0,0|2,0,0]=4 150 B11R1.199 CNCC(O)c1cscc1Br Amb27165921 [1,0,1,0,0,0|1,0,0]=3 151 B11R1.199 CNCC(O)c1cscc1C Amb33147696 [1,0,1,0,0,0|0,0,0]=2 152 B11R1.199 CNCC(O)c1occc1C Amb33343969 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.199 CNCC(O)c1sccc1C Amb18301176 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.199 COCC(O)c1cocc1C Amb27613587 [1,0,1,0,0,0|1,1,0]=4 155 B11R1.199 CSCC(O)c1cocc1C Amb27184860 [1,0,1,0,0,0|1,1,0]=4 156 B11R1.199 Cc1cscc1C(C)CCN Amb28384848 [1,0,1,0,0,0|2,0,0]=4 157 B11R1.199 Cc1cscc1C(C)CON Amb33145886 [1,0,1,0,0,0|2,0,0]=4 158 B11R1.199 Cc1cscc1C(O)CC#N Amb33145871 [1,0,1,0,0,0|2,0,0]=4 159 B11R1.199 Cc1cscc1C(O)CCN Amb26049367 [1,0,1,0,0,0|2,0,0]=4 160 B11R1.199 Cc1cscc1[C@@H](O)CCN Amb33146578 [1,0,1,0,0,0|2,0,0]=4 161 B11R1.199 Cc1cscc1[C@H](O)CCN Amb33146591 [1,0,1,0,0,0|2,0,0]=4 162 B11R1.18 CCCOc1cscc1CO Amb27674390 [1,0,1,0,0,0|2,0,0]=4 163 B11R1.18 CCc1ccsc1CCNC Amb32729310 [1,0,1,0,0,0|2,0,0]=4 164 B11R1.18 CCn1cncc1CCNC Amb26992531 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.59 CCC(O)c1cncn1CC Amb28063045 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.59 CC[C@@H](N)c1cscc1OC Amb27871255 [1,0,1,0,0,0|2,0,0]=4 167 B11R1.59 CCc1ccsc1C(O)CN Amb18198489 [1,0,1,0,0,0|2,0,0]=4 168 B11R1.59 CCc1ccsc1[C@@H](O)CN Amb32729187 [1,0,1,0,0,0|2,0,0]=4 169 B11R1.59 CCc1ccsc1[C@H](O)CN Amb32729185 [1,0,1,0,0,0|2,0,0]=4 170 B11R1.59 CCn1cncc1C(O)CN Amb26550543 [1,0,1,0,0,0|2,0,0]=4 171 B11R1.59 CCn1cncc1[C@@H](O)CN Amb33273226 [1,0,1,0,0,0|2,0,0]=4 172 B11R1.59 CCn1cncc1[C@H](O)CN Amb33273224 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.109 CCCn1cncc1CCO Amb27271645 [1,0,1,0,0,0|2,0,0]=4 174 B11R1.109 COCc1cscc1CCN Amb18198486 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.109 OCCc1cscc1CCO Amb27674425 [1,0,1,0,0,0|1,0,0]=3 176 B11R2.106 NC1CCCc2cocc21 Amb27620072 [2,0,0,0,0,0|1,1,0]=4 177 B11R2.106 NC1CCCc2cscc21 Amb18831059 [2,0,0,0,0,0|1,0,0]=3 178 B11R2.106 OC1CCCc2cscc21 Amb18830962 [2,0,0,0,0,0|2,0,0]=4 179 B13R1.119 CCCCCCCCc1ccsc1 Amb17750261 [0,1,1,0,0,0|2,0,0]=4 180 B13R1.119 CCCCCCNCc1ccsc1 Amb5262476 [0,1,1,0,0,0|2,0,0]=4 181 B13R1.119 COCCCCCNc1ccsc1 Amb33133278 [0,1,1,0,0,0|2,0,0]=4 182 B13R1.119 COCCCCNCc1ccsc1 Amb18332403 [0,1,1,0,0,0|2,0,0]=4 183 B13R1.343 CN(C)CCCNCc1ccsc1 Amb5262481 [0,1,1,0,0,0|2,0,0]=4 184 B13R1.2793 CC#CCC(NC)c1cscc1C Amb27390538 [0,1,1,0,0,0|2,0,0]=4 185 B13R1.208 CNCC(O)c1occc1COC Amb33423738 [0,1,1,0,0,0|2,0,0]=4 186 B13R1.1524 CCn1cnc(Cl)c1C(O)CNC Amb33222791 [0,1,1,0,0,0|2,0,0]=4 187 B13R1.579 CCCCc1cscc1CCCC Amb20620932 [0,1,1,0,0,0|2,0,0]=4 188 B13R2.573 Cn1ncc2c1CCOC2CN Amb20669391 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.573 NCC1OCCc2c1csc2Br Amb22713442 [1,1,0,0,0,0|0,0,0]=2 190 B13R2.581 Cc1cc2c(s1)CCOC2CN Amb27970513 [1,1,0,0,0,0|2,0,0]=4 191 B13R2.581 Cc1cc2c(s1)CCO[C@H]2CN Amb27195906 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.581 NCC1OCCc2sc(F)cc21 Amb26057366 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.581 NCC1OCCc2sc(F)cc21 Amb28600236 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.2565 CC1(CN)OCCc2sccc21 Amb28600280 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.5569 CC(N)C1OCCc2sccc21 Amb27224967 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.5569 CC(N)C1OCCc2sccc21 Amb28600254 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.5569 C[C@@H](N)[C@H]1OCCc2sccc21 Amb27818141 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.259 CNCC1CCc2nn(C)cc21 Amb28368596 [0,1,0,0,1,0|2,0,0]=4 199 B13R2.259 CNCC1CCc2oc(C)cc21 Amb27624919 [0,1,0,0,1,0|2,0,0]=4 200 B13R2.260 CNCC1CCc2cnn(C)c21 Amb27966191 [0,1,0,0,1,0|2,0,0]=4 201 B15R2.800 CNCC1CCCc2c(O)cccc21 Amb27747170 [0,1,0,0,0,1|2,0,0]=4 202 B15R2.11981 CNCC1NCCc2ccc(C)cc21 Amb28256767 [0,1,0,0,0,1|2,0,0]=4 203 B15R2.16857 CNCC1(O)CCCc2ccccc21 Amb18287320 [0,1,0,0,0,1|2,0,0]=4 204 B15R2.18471 CCNCC1CCCc2cccnc21 Amb27465252 [0,1,0,0,0,1|2,0,0]=4 205 B15R2.18471 CCNCC1OCCc2ccccc21 Amb1995205 [0,1,0,0,0,1|1,0,0]=3 206 B15R2.18471 CCNCC1OCCc2ccccc21 Amb4422667 [0,1,0,0,0,1|1,0,0]=3 207 B15R2.18471 CNCCC1CCCc2ccccc21 Amb25753715 [0,1,0,0,0,1|2,0,0]=4 208 B15R2.18471 CNCCC1OCCc2ccccc21 Amb18650950 [0,1,0,0,0,1|1,0,0]=3 209 B15R2.18471 CONCC1CCCc2ccccc21 Amb25870092 [0,1,0,0,0,1|2,0,0]=4 210 B15R2.18471 CONCC1CCCc2ccccc21 Amb32670874 [0,1,0,0,0,1|2,0,0]=4 211 B15R2.18471 CONCC1OCCc2ccccc21 Amb28324268 [0,1,0,0,0,1|1,0,0]=3 212 B15R2.18471 CONCC1OCCc2ccccc21 Amb32682174 [0,1,0,0,0,1|1,0,0]=3 213 B15R2.18471 O=CNCC1OCCc2ccccc21 Amb27625108 [0,1,0,0,0,1|1,0,1]=4 214 B15R2.18471 OCCCC1OCCc2ccccc21 Amb28283038 [0,1,0,0,0,1|2,0,0]=4 215 B15R2.68122 CC(N)CC1OCCc2ccccc21 Amb30010778 [0,1,0,0,0,1|2,0,0]=4 216 B15R2.68122 CN(C)CC1CCCc2ccccc21 Amb27645062 [0,1,0,0,0,1|2,0,0]=4 217 B15R2.68122 CN(C)CC1NCCc2ccccc21 Amb18956500 [0,1,0,0,0,1|2,0,0]=4 218 B15R2.68122 CN(O)CC1CCCc2ccccc21 Amb33380003 [0,1,0,0,0,1|2,0,0]=4 219 B15R2.79765 CCC(N)C1OCCc2ccccc21 Amb2777322 [0,1,0,0,0,1|2,0,0]=4 220 B15R2.79765 CNC(=O)C1OCCc2ccccc21 Amb4420659 [0,1,0,0,0,1|1,0,1]=4 221 B15R2.79765 CNC(C)C1CCCc2cccnc21 Amb27169017 [0,1,0,0,0,1|2,0,0]=4 222 B15R2.79765 CN[C@H](C)C1CCCc2ccccc21 Amb28381992 [0,1,0,0,0,1|2,0,0]=4 223 B15R2.19753 CC(C)NCC1OCCc2sccc21 Amb25771729 [0,2,0,0,0,0|2,0,0]=4 224 B13R2.18 CC1CCNCC1c2ccsc2 Amb33500930 [0,0,1,1,0,0|2,0,0]=4 225 B13R2.18 CN1CCCCC1c2ccoc2 Amb23578303 [0,0,1,1,0,0|1,1,0]=4 226 B13R2.18 CN1CCCCC1c2ccsc2 Amb23578357 [0,0,1,1,0,0|1,0,0]=3 227 B13R2.18 CN1CCNCC1c2ccoc2 Amb33361252 [0,0,1,1,0,0|1,1,0]=4 228 B13R2.18 CN1CCNCC1c2ccsc2 Amb33428948 [0,0,1,1,0,0|1,0,0]=3 229 B13R2.18 CN1CCNCC1c2cscn2 Amb18823098 [0,0,1,1,0,0|2,0,0]=4 230 B13R2.61 CNC1CCCC1c2cnsc2 Amb35731640 [0,0,1,1,0,0|2,0,0]=4 231 B13R2.61 CNC1COCC1c2ccco2 Amb35635699 [0,0,1,1,0,0|2,0,0]=4 232 B13R2.61 CNC1COCC1c2cccs2 Amb35635704 [0,0,1,1,0,0|2,0,0]=4 233 B13R2.61 CNC1COCC1c2ccns2 Amb35632003 [0,0,1,1,0,0|2,0,0]=4 234 B13R2.61 CNC1COCC1c2ccoc2 Amb35635700 [0,0,1,1,0,0|0,1,0]=3 235 B13R2.61 CNC1COCC1c2ccsc2 Amb35635703 [0,0,1,1,0,0|0,0,0]=2 236 B13R2.61 CNC1COCC1c2ccsn2 Amb35635705 [0,0,1,1,0,0|1,0,0]=3 237 B13R2.61 CNC1COCC1c2cncs2 Amb35632007 [0,0,1,1,0,0|2,0,0]=4 238 B13R2.61 CNC1COCC1c2cnsc2 Amb35632000 [0,0,1,1,0,0|1,0,0]=3 239 B13R2.61 CNC1COCC1c2cscn2 Amb29882861 [0,0,1,1,0,0|1,0,0]=3 240 B13R2.64 c1cc(CC2CCCCN2)cs1 Amb18967409 [0,0,1,1,0,0|2,0,0]=4 241 B13R2.64 c1cc(CC2CCCNC2)co1 Amb27205531 [0,0,1,1,0,0|1,1,0]=4 242 B13R2.64 c1cc(CC2CCCNC2)cs1 Amb26840978 [0,0,1,1,0,0|1,0,0]=3 243 B13R2.64 c1cc(CC2CNCCN2)cs1 Amb27864065 [0,0,1,1,0,0|1,0,0]=3 244 B13R2.64 c1cc(CC2COCCN2)cs1 Amb27172362 [0,0,1,1,0,0|2,0,0]=4 245 B13R2.64 c1cc(CN2CCCCO2)cs1 Amb28065619 [0,0,1,1,0,0|2,0,0]=4 246 B13R2.64 c1cc(OC2CCCNC2)cs1 Amb33428871 [0,0,1,1,0,0|2,0,0]=4 247 B13R2.64 c1cn(CC2CNCCO2)cn1 Amb20018976 [0,0,1,1,0,0|2,0,0]=4 248 B13R2.64 c1cn(CC2CNCCO2)cn1 Amb34914127 [0,0,1,1,0,0|2,0,0]=4 249 B13R2.64 c1cn(C[C@@H]2CNCCO2)cn1 Amb24077509 [0,0,1,1,0,0|2,0,0]=4 250 B13R2.64 c1cn(C[C@H]2CNCCO2)cn1 Amb34912502 [0,0,1,1,0,0|2,0,0]=4 251 B13R2.64 c1coc(CC2CNCCO2)c1 Amb27953104 [0,0,1,1,0,0|2,0,0]=4 252 B13R2.64 c1csc(CC2CNCCO2)c1 Amb25699927 [0,0,1,1,0,0|2,0,0]=4 253 B13R2.64 c1nc(CC2CCCNC2)cs1 Amb24593124 [0,0,1,1,0,0|2,0,0]=4 254 B13R2.68 CNCC1CCC1c2cnsc2 Amb35715883 [0,0,1,1,0,0|2,0,0]=4 255 B13R2.68 CNCC1CCN1c2ccsc2 Amb35675375 [0,0,1,1,0,0|2,0,0]=4 256 B13R2.183 c1cc(CCC2CCNC2)cs1 Amb25865151 [0,0,1,1,0,0|1,0,0]=3 257 B13R2.183 c1cc(CN[C@H]2CCNC2)cs1 Amb30040299 [0,0,1,1,0,0|2,0,0]=4 258 B13R2.183 c1cc(COC2CCNC2)cs1 Amb18988511 [0,0,1,1,0,0|2,0,0]=4 259 B13R2.677 c1cc(C2CNCCCO2)cs1 Amb18946617 [0,0,1,1,0,0|2,0,0]=4 260 B13R2.2381 c1cc(CCCC2CNC2)cs1 Amb33321996 [0,0,1,1,0,0|1,0,0]=3 261 B13R2.2381 c1cc(CCOC2CNC2)cs1 Amb32941352 [0,0,1,1,0,0|0,0,0]=2 262 B13R2.2381 c1cc(CCOC2CNC2)sn1 Amb32941740 [0,0,1,1,0,0|2,0,0]=4 263 B13R2.2381 c1cn(CCOC2CNC2)cn1 Amb32941508 [0,0,1,1,0,0|2,0,0]=4 264 B13R2.2381 c1csc(CCOC2CNC2)c1 Amb18314577 [0,0,1,1,0,0|2,0,0]=4 265 B13R2.15 Brc1cscc1C2CCCNC2 Amb18155537 [0,0,1,1,0,0|2,0,0]=4 266 B13R2.15 Brc1cscc1C2CNCCO2 Amb27227282 [0,0,1,1,0,0|1,0,0]=3 267 B13R2.15 Cc1ccoc1C2CNCCO2 Amb33343977 [0,0,1,1,0,0|2,0,0]=4 268 B13R2.15 Cc1ccsc1C2CNCCO2 Amb27466573 [0,0,1,1,0,0|2,0,0]=4 269 B13R2.15 Cc1cnoc1C2CNCCO2 Amb18826604 [0,0,1,1,0,0|2,0,0]=4 270 B13R2.15 Cc1cscc1C2CCCCN2 Amb25799060 [0,0,1,1,0,0|2,0,0]=4 271 B13R2.15 Cc1cscc1C2CCCNC2 Amb18823895 [0,0,1,1,0,0|1,0,0]=3 272 B13R2.15 Cc1cscc1C2CNCCO2 Amb33147703 [0,0,1,1,0,0|0,0,0]=2 273 B13R2.15 Cc1cscc1C2COCCN2 Amb33147704 [0,0,1,1,0,0|2,0,0]=4 274 B13R2.15 Cc1occc1C2CNCCO2 Amb33473306 [0,0,1,1,0,0|2,0,0]=4 275 B13R2.15 Cc1oncc1C2CNCCO2 Amb33361745 [0,0,1,1,0,0|2,0,0]=4 276 B13R2.15 Cn1cccc1C2CNCCO2 Amb33314406 [0,0,1,1,0,0|2,0,0]=4 277 B13R2.15 Cn1cncc1C2CNCCO2 Amb25899144 [0,0,1,1,0,0|2,0,0]=4 278 B13R2.1 CNCC1OCc2ccccc21 Amb34915058 [0,0,1,1,0,0|1,0,1]=4 279 B13R2.13 CC1CCCC(c2ccsc2)N1 Amb32685325 [0,0,1,1,0,0|2,0,0]=4 280 B13R2.13 CC1CCNC(c2ccsc2)C1 Amb25061018 [0,0,1,1,0,0|2,0,0]=4 281 B13R2.13 CC1CNCC(c2ccsc2)C1 Amb33500939 [0,0,1,1,0,0|1,0,0]=3 282 B13R2.13 CC1CNCC(c2ccsc2)O1 Amb18946615 [0,0,1,1,0,0|0,0,0]=2 283 B13R2.13 CN1CCNC(c2cnsc2)C1 Amb18823093 [0,0,1,1,0,0|2,0,0]=4 284 B13R2.13 CN1CCNC(c2cscn2)C1 Amb18823097 [0,0,1,1,0,0|2,0,0]=4 285 B13R2.13 NC1CNCC(c2ccsc2)C1 Amb33500942 [0,0,1,1,0,0|2,0,0]=4 286 B13R2.2091 CCc1csc2c1C(N)CCC2 Amb18150292 [0,0,1,1,0,0|2,0,0]=4 287 B13R2.2091 CCc1csc2c1C(N)COC2 Amb18687723 [0,0,1,1,0,0|2,0,0]=4 288 B13R2.2091 CCc1csc2c1C(N)CSC2 Amb18149350 [0,0,1,1,0,0|2,0,0]=4 289 B13R2.2607 CCc1ccsc1C2(O)CNC2 Amb32729057 [0,0,1,1,0,0|2,0,0]=4 290 B13R2.2607 CCn1cncc1C2(O)CNC2 Amb33423535 [0,0,1,1,0,0|2,0,0]=4 291 B13R3.5732 c1snc2c1C3CCC(C2)N3 Amb18199563 [1,0,0,1,0,0|2,0,0]=4 292 B13R3.102 OC1CC2CC1c3cscc32 Amb27650210 [0,0,0,1,1,0|2,0,0]=4 293 B13R3.102 O[C@H]1C[C@@H]2C[C@H]1c3cscc32 Amb28138697 [0,0,0,1,1,0|2,0,0]=4 294 B13R3.1922 c1cc2c(s1)C3CNCC3C2 Amb27400341 [0,0,0,1,1,0|2,0,0]=4 295 B15R3.1669 c1scc2c1CCNC3CCCC23 Amb18190093 [0,0,0,1,0,1|2,0,0]=4 296 B15R3.1739 c1ccc2c(c1)CCC3CNCC23 Amb27482809 [0,0,0,1,0,1|2,0,0]=4 297 B15R3.1740 c1cc2c(cn1)C3CNCC(C2)C3 Amb27478056 [0,0,0,1,0,1|2,0,0]=4 298 B15R3.1740 c1cc2c(cn1)CC3CNCC2C3 Amb27233029 [0,0,0,1,0,1|2,0,0]=4 299 B15R3.1740 c1ccc2c(c1)C[C@@H]3CNC[C@H]2C3 Amb27873528 [0,0,0,1,0,1|2,0,0]=4 300 B15R3.1740 c1cnc2c(c1)CC3CNCC2C3 Amb27415807 [0,0,0,1,0,1|2,0,0]=4 301 B15R3.1969 c1cc2c3c(c1)CNCC3CCC2 Amb25724335 [0,0,0,1,0,1|2,0,0]=4 302 B15R3.1969 c1cc2c3c(c1)CNCC3CCC2 Amb33330558 [0,0,0,1,0,1|2,0,0]=4 303 B15R3.1969 c1cc2c3c(c1)CNCC3NCC2 Amb17506022 [0,0,0,1,0,1|2,0,0]=4 304 B15R3.2013 CN1C[C@H]2CC[C@H]1c3ccccc32 Amb28054760 [0,0,0,1,0,1|2,0,0]=4 305 B15R3.4424 c1ccc2c(c1)CCCC23CNC3 Amb26868333 [0,0,0,1,0,1|2,0,0]=4 306 B15R3.794 OC1CCC2CCCc3scc1c32 Amb27589728 [0,1,0,1,0,0|2,0,0]=4 307 B15R3.794 O[C@@H]1CC[C@H]2CCCc3scc1c32 Amb28388636 [0,1,0,1,0,0|2,0,0]=4 308 B15R3.32333 c1cc2c(s1)C3(CCNC3)OCC2 Amb28401468 [0,1,0,1,0,0|2,0,0]=4 309 B11R2.191 CNC1CCc2cnoc21 Amb27962712 [1,0,0,0,1,0|2,0,0]=4 310 B11R2.191 CNC1CCc2cocc21 Amb27193906 [1,0,0,0,1,0|0,1,0]=3 311 B11R2.191 CNC1CCc2conc21 Amb27442143 [1,0,0,0,1,0|1,1,0]=4 312 B11R2.191 CNC1CCc2oncc21 Amb27458921 [1,0,0,0,1,0|2,0,0]=4 313 B11R2.191 NCC1CCc2cnoc21 Amb18832201 [1,0,0,0,1,0|2,0,0]=4 314 B11R2.191 NCC1CCc2cnsc21 Amb18830944 [1,0,0,0,1,0|2,0,0]=4 315 B11R2.191 NCC1CCc2sccc21 Amb22713443 [1,0,0,0,1,0|2,0,0]=4 316 B11R2.191 NCC1CCn2cncc21 Amb18832301 [1,0,0,0,1,0|2,0,0]=4 317 B13R1.28 CCCCOCCc1ccccc1 Amb24065444 [0,0,1,0,0,1|2,0,0]=4 318 B13R1.2 CNCC(OC)c1cccc(Br)c1 Amb17605886 [0,0,1,0,0,1|2,0,0]=4 319 B13R1.2 CNCC(OC)c1cccc(Cl)c1 Amb17605863 [0,0,1,0,0,1|2,0,0]=4 320 B13R1.2 CNCC(OC)c1cccc(F)c1 Amb17605883 [0,0,1,0,0,1|2,0,0]=4 321 B13R1.173 CNCC(OC)c1ccccc1C Amb17605895 [0,0,1,0,0,1|1,0,0]=3 322 B13R1.173 CNCC(OC)c1ccccc1Cl Amb17605888 [0,0,1,0,0,1|2,0,0]=4 323 B13R1.173 CNCC(OC)c1ccccc1F Amb17605889 [0,0,1,0,0,1|2,0,0]=4 324 B13R1.398 CCOC(CNC)c1ccccc1 Amb17605900 [0,0,1,0,0,1|1,0,0]=3 325 B13R1.460 CCc1cccc(C(O)CNC)c1 Amb33473902 [0,0,1,0,0,1|1,0,0]=3 326 B13R1.460 CNCC(O)c1cccc(OC)c1 Amb6357648 [0,0,1,0,0,1|2,0,0]=4 327 B13R1.460 CNCC(O)c1cccc(OC)n1 Amb33202195 [0,0,1,0,0,1|2,0,0]=4 328 B13R1.460 CNCC(O)c1cccc(SC)c1 Amb33143797 [0,0,1,0,0,1|2,0,0]=4 329 B13R1.460 CNCC(O)c1cncc(OC)c1 Amb33079108 [0,0,1,0,0,1|2,0,0]=4 330 B13R1.464 CCc1ccccc1C(O)CNC Amb19031256 [0,0,1,0,0,1|1,0,0]=3 331 B13R1.464 CNCC(O)c1ccccc1OC Amb5750900 [0,0,1,0,0,1|2,0,0]=4 332 B13R1.464 CNCC(O)c1ccccc1SC Amb33079000 [0,0,1,0,0,1|2,0,0]=4 333 B13R1.464 CNCC(O)c1cccnc1OC Amb33359153 [0,0,1,0,0,1|2,0,0]=4 334 B13R1.464 CNCC(O)c1ncccc1OC Amb33429479 [0,0,1,0,0,1|2,0,0]=4 335 B15R2.1291 CNCC1CCCc2ccccc2N1 Amb33228300 [0,0,0,0,0,2|2,0,0]=4 336 B15R2.55017 CNCC1CCCCc2ccccc21 Amb27606671 [0,0,0,0,0,2|2,0,0]=4