0 B13R2.628 CCC1NCCCc2sccc21 Amb27150089 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.628 FCC1CCNCc2ccsc21 Amb27447876 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.628 NCC1CCCCc2cnoc21 Amb18827625 [0,0,0,0,0,0|2,1,0]=3 3 B13R2.628 NCC1CCCCn2cnnc21 Amb23449879 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.628 NCC1OCCCc2sccc21 Amb27394661 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.628 OCC1CCCCn2cccc21 Amb27490923 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.229 FC1CCNCc2ccsc21 Amb26461029 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.229 NC1CCCCc2sccc21 Amb28282749 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.229 NC1CCCCn2ccnc21 Amb28120173 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.229 O=C1NCCCc2ccsc21 Amb18199464 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.229 OC1CCNCc2ccsc21 Amb28293124 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.3106 FCCC1CCNCc2ccsc21 Amb28042415 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.9516 FC(F)C1CCNCc2ccsc21 Amb27196471 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.36 CCCCC(CN)c1cccs1 Amb23559923 [0,0,1,0,0,0|1,0,0]=2 14 B12R1.36 CCCNC(C#N)c1cccs1 Amb17043333 [0,0,1,0,0,0|1,0,2]=4 15 B12R1.36 CCCNC(CC)c1nccs1 Amb19045574 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.36 CCCN\C(=N\N)c1cccs1 Amb19045262 [0,0,1,0,0,0|2,0,1]=4 17 B12R1.36 NCC(OCCO)c1cccs1 Amb33035151 [0,0,1,0,0,0|1,0,0]=2 18 B12R1.36 NCC(OCCO)c1ccns1 Amb33035145 [0,0,1,0,0,0|2,0,0]=3 19 B12R1.36 NCC(OCCO)c1ccsc1 Amb33035055 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.36 NCC(OCCO)c1cncs1 Amb33035007 [0,0,1,0,0,0|2,0,0]=3 21 B12R1.36 NCC(OCCO)c1cscn1 Amb33034903 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.36 NCC(OCCO)c1nccs1 Amb33034896 [0,0,1,0,0,0|2,0,0]=3 23 B12R1.37 CCCCCCCc1ccsc1 Amb8515180 [0,0,1,0,0,0|2,0,0]=3 24 B12R1.37 CCCCCNCc1ccsc1 Amb5262475 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.37 NCCCCCCc1ccsc1 Amb33320899 [0,0,1,0,0,0|1,0,0]=2 26 B12R1.37 NCCCCCCn1ccnc1 Amb5357894 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.37 NCCCOCCc1ccsc1 Amb32953622 [0,0,1,0,0,0|2,0,0]=3 28 B12R1.37 NCCNCCCn1ccnc1 Amb18793185 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.37 O=CCCCCCc1ccsc1 Amb33320896 [0,0,1,0,0,0|2,0,1]=4 30 B12R1.83 CCc1ccsc1C(CN)CO Amb32729189 [0,0,1,0,0,0|2,0,0]=3 31 B12R1.83 CCn1cncc1C(CN)OC Amb33034784 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.134 C#CC(NCC)c1sccc1C Amb27447113 [0,0,1,0,0,0|2,0,1]=4 33 B12R1.134 CCOC(C#N)c1sccc1C Amb27451240 [0,0,1,0,0,0|0,0,2]=3 34 B12R1.134 CCOC(CN)c1ccsc1Br Amb33034670 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.134 CCOC(CN)c1ccsc1C Amb33034631 [0,0,1,0,0,0|2,0,0]=3 36 B12R1.134 CCOC(CN)c1ccsc1Cl Amb33034792 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.134 CCOC(CN)c1cncn1C Amb33034829 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.134 CCOC(CN)c1cscc1Br Amb33034888 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.134 CCOC(CN)c1cscc1Cl Amb33034749 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.134 CCOC(CN)c1sccc1Br Amb33034691 [0,0,1,0,0,0|1,0,0]=2 41 B12R1.134 CCOC(CN)c1sccc1C Amb19020127 [0,0,1,0,0,0|0,0,0]=1 42 B12R1.134 CCOC(CN)c1scnc1C Amb33034754 [0,0,1,0,0,0|1,0,0]=2 43 B12R1.134 CCOC(CN)c1scnc1Cl Amb33034823 [0,0,1,0,0,0|2,0,0]=3 44 B12R1.134 CCOC(CN)c1sncc1Br Amb33034747 [0,0,1,0,0,0|2,0,0]=3 45 B12R1.134 CCOC(CN)c1snnc1C Amb33034676 [0,0,1,0,0,0|2,0,0]=3 46 B12R1.291 COCc1ccoc1C(C)CN Amb33423745 [0,0,1,0,0,0|2,1,0]=4 47 B12R1.291 COCc1ccoc1C(F)CN Amb33448348 [0,0,1,0,0,0|2,1,0]=4 48 B12R1.291 COCc1ccoc1C(O)CBr Amb33430797 [0,0,1,0,0,0|2,1,0]=4 49 B12R1.291 COCc1ccoc1C(O)CF Amb33448288 [0,0,1,0,0,0|2,1,0]=4 50 B12R1.291 COCc1ccoc1C(O)CN Amb33424177 [0,0,1,0,0,0|1,1,0]=3 51 B12R1.291 COCc1ccoc1C(O)CO Amb33448289 [0,0,1,0,0,0|2,1,0]=4 52 B12R1.291 COCc1ccoc1[C@@H](O)CN Amb33448347 [0,0,1,0,0,0|1,1,0]=3 53 B12R1.291 COCc1ccoc1[C@H](O)CN Amb33448346 [0,0,1,0,0,0|1,1,0]=3 54 B12R1.320 CCCCn1cccc1CCN Amb18563760 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.320 CCCCn1ccnc1CCN Amb18798950 [0,0,1,0,0,0|3,0,0]=4 56 B12R2.315 BrCC1CCCc2cccn21 Amb32681981 [0,0,0,0,1,0|3,0,0]=4 57 B12R2.315 BrCC1CCCc2sccc21 Amb27805664 [0,0,0,0,1,0|3,0,0]=4 58 B12R2.315 CCC1CCCc2scnc21 Amb27758947 [0,0,0,0,1,0|3,0,0]=4 59 B12R2.315 CCC1CNCc2ccsc21 Amb26878119 [0,0,0,0,1,0|2,0,0]=3 60 B12R2.315 CCC1NCCc2ccoc21 Amb32647803 [0,0,0,0,1,0|2,1,0]=4 61 B12R2.315 CCC1NCCc2ccsc21 Amb25281361 [0,0,0,0,1,0|2,0,0]=3 62 B12R2.315 CCC1OCCn2cccc21 Amb27945400 [0,0,0,0,1,0|3,0,0]=4 63 B12R2.315 ClCC1CCCc2cccn21 Amb32681982 [0,0,0,0,1,0|3,0,0]=4 64 B12R2.315 NCC1CCCc2cncn21 Amb25217887 [0,0,0,0,1,0|3,0,0]=4 65 B12R2.315 NCC1CCCc2cnoc21 Amb18201342 [0,0,0,0,1,0|1,1,0]=3 66 B12R2.315 NCC1CCCc2cnsc21 Amb18199189 [0,0,0,0,1,0|1,0,0]=2 67 B12R2.315 NCC1CCCc2cocc21 Amb27419823 [0,0,0,0,1,0|2,0,0]=3 68 B12R2.315 NCC1CCCc2nccn21 Amb24514604 [0,0,0,0,1,0|3,0,0]=4 69 B12R2.315 NCC1CCCc2nccn21 Amb33743741 [0,0,0,0,1,0|3,0,0]=4 70 B12R2.315 NCC1CCCc2ncnn21 Amb18341788 [0,0,0,0,1,0|3,0,0]=4 71 B12R2.315 NCC1CCCc2nnsc21 Amb27623705 [0,0,0,0,1,0|2,0,0]=3 72 B12R2.315 NCC1CCCc2sccc21 Amb18948477 [0,0,0,0,1,0|2,0,0]=3 73 B12R2.315 NCC1CCCn2cccc21 Amb25144105 [0,0,0,0,1,0|2,0,0]=3 74 B12R2.315 NCC1CCCn2ccnc21 Amb25923256 [0,0,0,0,1,0|2,0,0]=3 75 B12R2.315 NCC1CCCn2cncc21 Amb26571574 [0,0,0,0,1,0|3,0,0]=4 76 B12R2.315 NCC1CCCn2cnnc21 Amb23449871 [0,0,0,0,1,0|3,0,0]=4 77 B12R2.315 NCC1CCNc2ccnn21 Amb25364707 [0,0,0,0,1,0|3,0,0]=4 78 B12R2.315 NCC1OCCc2ccsc21 Amb20667880 [0,0,0,0,1,0|0,0,0]=1 79 B12R2.315 NCC1OCCc2ccsc21 Amb33482903 [0,0,0,0,1,0|0,0,0]=1 80 B12R2.315 NCC1OCCc2sccc21 Amb2724104 [0,0,0,0,1,0|2,0,0]=3 81 B12R2.315 NCC1OCCc2sccc21 Amb32683433 [0,0,0,0,1,0|2,0,0]=3 82 B12R2.315 NC[C@@H]1OCCc2ccsc21 Amb27976114 [0,0,0,0,1,0|0,0,0]=1 83 B12R2.315 NC[C@H]1OCCc2ccsc21 Amb28055840 [0,0,0,0,1,0|0,0,0]=1 84 B12R2.315 O=CC1CCCc2ccsc21 Amb27164594 [0,0,0,0,1,0|1,0,1]=3 85 B12R2.315 O=C[C@@H]1CCCc2ccoc21 Amb27262964 [0,0,0,0,1,0|1,1,1]=4 86 B12R2.315 OCC1CCCc2cccn21 Amb27659460 [0,0,0,0,1,0|3,0,0]=4 87 B12R2.315 OCC1CCCc2scnc21 Amb26955842 [0,0,0,0,1,0|3,0,0]=4 88 B12R2.315 OCC1NCCc2ccoc21 Amb32647796 [0,0,0,0,1,0|2,1,0]=4 89 B12R2.315 OCC1NCCc2ccsc21 Amb32646939 [0,0,0,0,1,0|2,0,0]=3 90 B12R2.315 OC[C@@H]1CCCn2cccc21 Amb27803662 [0,0,0,0,1,0|3,0,0]=4 91 B12R2.315 OC[C@H]1CCCc2ccoc21 Amb27981807 [0,0,0,0,1,0|1,1,0]=3 92 B12R2.315 OC[C@H]1CCCc2scnc21 Amb27823557 [0,0,0,0,1,0|3,0,0]=4 93 B14R2.2014 CCC1NCCCc2ccccc21 Amb27406843 [0,0,0,0,0,1|3,0,0]=4 94 B14R2.2014 NCC1CCCNc2ccccc21 Amb18196481 [0,0,0,0,0,1|3,0,0]=4 95 B14R2.2014 NCC1CCCSc2ccccc21 Amb18190077 [0,0,0,0,0,1|3,0,0]=4 96 B14R2.2014 NCC1NCCOc2ccccc21 Amb26345323 [0,0,0,0,0,1|3,0,0]=4 97 B14R2.2014 NCC1OCCCc2ccccc21 Amb28054846 [0,0,0,0,0,1|1,0,0]=2 98 B11R1.2 CCC(CCN)c1cccs1 Amb5739025 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.2 CCC(CCO)c1cccs1 Amb17232755 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.2 CCC(CNC)c1cccs1 Amb17232726 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.2 CCCC(C#N)c1cccs1 Amb17232568 [1,0,1,0,0,0|0,0,2]=4 102 B11R1.2 CCCC(CBr)c1cccs1 Amb17250571 [1,0,1,0,0,0|1,0,0]=3 103 B11R1.2 CCCC(CCl)c1cccs1 Amb17234618 [1,0,1,0,0,0|1,0,0]=3 104 B11R1.2 CCCC(CN)c1cccs1 Amb17232728 [1,0,1,0,0,0|0,0,0]=2 105 B11R1.2 CCCC(CN)n1cccc1 Amb27269862 [1,0,1,0,0,0|2,0,0]=4 106 B11R1.2 CCCC(CN)n1cccn1 Amb27271232 [1,0,1,0,0,0|2,0,0]=4 107 B11R1.2 CCCC(CO)c1cccs1 Amb17232754 [1,0,1,0,0,0|1,0,0]=3 108 B11R1.2 CCCC(NN)c1ccco1 Amb27671210 [1,0,1,0,0,0|1,1,0]=4 109 B11R1.2 CCCC(NN)c1cccs1 Amb27272439 [1,0,1,0,0,0|1,0,0]=3 110 B11R1.2 CCCC(NN)c1cncs1 Amb27671254 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.2 CCNC(CC)c1cccs1 Amb6719195 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.2 CCNC(CF)c1cccs1 Amb27674431 [1,0,1,0,0,0|2,0,0]=4 113 B11R1.2 CCNC(CN)c1ccco1 Amb18799532 [1,0,1,0,0,0|1,1,0]=4 114 B11R1.2 CCNC(CN)c1cccs1 Amb18185658 [1,0,1,0,0,0|1,0,0]=3 115 B11R1.2 CCOC(C=O)c1cccs1 Amb27674237 [1,0,1,0,0,0|1,0,1]=4 116 B11R1.2 CCOC(CN)c1cccs1 Amb18308169 [1,0,1,0,0,0|0,0,0]=2 117 B11R1.2 CCOC(CN)c1ccns1 Amb33034862 [1,0,1,0,0,0|1,0,0]=3 118 B11R1.2 CCOC(CN)c1ccsc1 Amb18308253 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.2 CCOC(CN)c1cncs1 Amb27492341 [1,0,1,0,0,0|1,0,0]=3 120 B11R1.2 CCOC(CN)c1cscn1 Amb24756170 [1,0,1,0,0,0|2,0,0]=4 121 B11R1.2 CCOC(CN)c1nccs1 Amb27492342 [1,0,1,0,0,0|1,0,0]=3 122 B11R1.2 CCOC(CO)c1ccco1 Amb27269854 [1,0,1,0,0,0|1,1,0]=4 123 B11R1.2 CCSC(CN)c1cccs1 Amb19020007 [1,0,1,0,0,0|0,1,0]=3 124 B11R1.2 COCC(NN)c1cccs1 Amb27988573 [1,0,1,0,0,0|2,0,0]=4 125 B11R1.2 CSCC(NN)c1cccs1 Amb27671203 [1,0,1,0,0,0|2,0,0]=4 126 B11R1.2 NCC(CCO)c1ccco1 Amb17232150 [1,0,1,0,0,0|1,1,0]=4 127 B11R1.2 NCC(CCO)c1cccs1 Amb17232840 [1,0,1,0,0,0|1,0,0]=3 128 B11R1.2 NCC(CCO)c1cncs1 Amb27492343 [1,0,1,0,0,0|2,0,0]=4 129 B11R1.2 NCC(CCO)c1nccs1 Amb27492344 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.2 NCCC(CN)c1ccco1 Amb17232136 [1,0,1,0,0,0|1,1,0]=4 131 B11R1.2 NCCC(CN)c1cccs1 Amb17232757 [1,0,1,0,0,0|1,0,0]=3 132 B11R1.2 OCCC(CO)c1cccs1 Amb27989489 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.2 OCC[C@@H](CO)c1cccs1 Amb27989490 [1,0,1,0,0,0|2,0,0]=4 134 B11R1.2 OCC[C@H](CO)c1cccs1 Amb27989493 [1,0,1,0,0,0|2,0,0]=4 135 B11R1.29 CC(CCCN)c1cccs1 Amb18563916 [1,0,1,0,0,0|2,0,0]=4 136 B11R1.29 CC(NCCO)c1cccs1 Amb9212884 [1,0,1,0,0,0|2,0,0]=4 137 B11R1.29 CC(OCCN)c1ccco1 Amb26076127 [1,0,1,0,0,0|1,1,0]=4 138 B11R1.29 CC(OCCN)c1cccs1 Amb18065483 [1,0,1,0,0,0|1,0,0]=3 139 B11R1.29 CCCCC(Br)c1cccs1 Amb27491878 [1,0,1,0,0,0|2,0,0]=4 140 B11R1.29 CCCCC(N)c1ccco1 Amb18796711 [1,0,1,0,0,0|1,1,0]=4 141 B11R1.29 CCCCC(N)c1cccs1 Amb9732136 [1,0,1,0,0,0|1,0,0]=3 142 B11R1.29 CCCCC(N)c1ccns1 Amb27671896 [1,0,1,0,0,0|2,0,0]=4 143 B11R1.29 CCCCC(O)c1cccs1 Amb17194482 [1,0,1,0,0,0|2,0,0]=4 144 B11R1.29 CCCC[C@@H](N)c1ccco1 Amb27269531 [1,0,1,0,0,0|1,1,0]=4 145 B11R1.29 CCCC[C@@H](O)c1cccs1 Amb27989598 [1,0,1,0,0,0|2,0,0]=4 146 B11R1.29 CCCC[C@H](N)c1ccco1 Amb27269532 [1,0,1,0,0,0|1,1,0]=4 147 B11R1.29 CCCNC(C)c1ccco1 Amb6271977 [1,0,1,0,0,0|1,1,0]=4 148 B11R1.29 CCCNC(C)c1cccs1 Amb6272252 [1,0,1,0,0,0|1,0,0]=3 149 B11R1.29 CCCNC(C)c1ccns1 Amb27671899 [1,0,1,0,0,0|2,0,0]=4 150 B11R1.29 CCCNC(C)c1nccs1 Amb19014075 [1,0,1,0,0,0|2,0,0]=4 151 B11R1.29 CCCSC(C)c1cccs1 Amb28387227 [1,0,1,0,0,0|0,1,0]=3 152 B11R1.29 CCOCC(N)c1cccs1 Amb27266581 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.29 CNCCC(C)c1cccs1 Amb5739285 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.29 N[C@@H](CCCCl)c1cccs1 Amb28388112 [1,0,1,0,0,0|2,0,0]=4 155 B11R1.29 N[C@H](CCCCl)c1cccs1 Amb28388113 [1,0,1,0,0,0|2,0,0]=4 156 B11R1.4 BrCCCCCc1ccsc1 Amb33009453 [1,0,1,0,0,0|1,0,0]=3 157 B11R1.4 C#CCCCCc1ccsc1 Amb33320901 [1,0,1,0,0,0|1,0,1]=4 158 B11R1.4 CCCCCCc1ccsc1 Amb2696630 [1,0,1,0,0,0|1,0,0]=3 159 B11R1.4 CCCCNCc1ccsc1 Amb5262468 [1,0,1,0,0,0|2,0,0]=4 160 B11R1.4 CCCCNCc1ccsc1 Amb6868332 [1,0,1,0,0,0|2,0,0]=4 161 B11R1.4 CCOCCNc1ccsc1 Amb27271392 [1,0,1,0,0,0|1,0,0]=3 162 B11R1.4 CNCCCCc1ccsc1 Amb33449244 [1,0,1,0,0,0|2,0,0]=4 163 B11R1.4 N#CCCCCc1ccsc1 Amb33322016 [1,0,1,0,0,0|0,0,2]=4 164 B11R1.4 NCCCCCc1ccsc1 Amb33079652 [1,0,1,0,0,0|0,0,0]=2 165 B11R1.4 NCCCCCn1ccnc1 Amb5357875 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.4 NCCOCCc1ccsc1 Amb33448656 [1,0,1,0,0,0|0,0,0]=2 167 B11R1.4 NCC\C=C\Cc1ccsc1 Amb27987202 [1,0,1,0,0,0|0,0,2]=4 168 B11R1.4 NC\C=C\CCc1ccsc1 Amb33321200 [1,0,1,0,0,0|0,0,2]=4 169 B11R1.4 NOCCCCc1ccsc1 Amb33321650 [1,0,1,0,0,0|1,0,0]=3 170 B11R1.4 O=CCCCCc1ccsc1 Amb33449957 [1,0,1,0,0,0|1,0,1]=4 171 B11R1.4 OCCCCCc1ccsc1 Amb32954776 [1,0,1,0,0,0|1,0,0]=3 172 B11R1.4 OCCCNCc1ccsc1 Amb6733595 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.4 SCCCCCc1ccsc1 Amb33484588 [1,0,1,0,0,0|1,0,0]=3 174 B11R1.4 [C-]#[N+]CCCCc1ccsc1 Amb33321990 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.59 C#CC(C)c1sccc1CC Amb32729150 [1,0,1,0,0,0|1,0,1]=4 176 B11R1.59 C#CC(N)c1sccc1CC Amb27460807 [1,0,1,0,0,0|1,0,1]=4 177 B11R1.59 C#CC(O)c1sccc1CC Amb28349359 [1,0,1,0,0,0|1,0,1]=4 178 B11R1.59 C=C(CN)c1sccc1CC Amb32729095 [1,0,1,0,0,0|0,0,2]=4 179 B11R1.59 C=CC(O)c1sccc1CC Amb27265496 [1,0,1,0,0,0|1,0,1]=4 180 B11R1.59 CC[C@@H](N)c1sccc1OC Amb27798494 [1,0,1,0,0,0|2,0,0]=4 181 B11R1.59 CCc1ccoc1C(N)CC Amb27176265 [1,0,1,0,0,0|1,1,0]=4 182 B11R1.59 CCc1ccsc1C(=O)CN Amb26371011 [1,0,1,0,0,0|0,0,2]=4 183 B11R1.59 CCc1ccsc1C(C)C#N Amb32729304 [1,0,1,0,0,0|0,0,2]=4 184 B11R1.59 CCc1ccsc1C(C)C=O Amb32729143 [1,0,1,0,0,0|1,0,1]=4 185 B11R1.59 CCc1ccsc1C(C)CBr Amb33009162 [1,0,1,0,0,0|1,0,0]=3 186 B11R1.59 CCc1ccsc1C(C)CN Amb32729315 [1,0,1,0,0,0|0,0,0]=2 187 B11R1.59 CCc1ccsc1C(C)NN Amb28284936 [1,0,1,0,0,0|1,0,0]=3 188 B11R1.59 CCc1ccsc1C(C)ON Amb32729171 [1,0,1,0,0,0|1,0,0]=3 189 B11R1.59 CCc1ccsc1C(F)CN Amb32729188 [1,0,1,0,0,0|1,0,0]=3 190 B11R1.59 CCc1ccsc1C(N)CC Amb27183997 [1,0,1,0,0,0|1,0,0]=3 191 B11R1.59 CCc1ccsc1C(N)CO Amb32729512 [1,0,1,0,0,0|2,0,0]=4 192 B11R1.59 CCc1ccsc1C(O)CBr Amb33009168 [1,0,1,0,0,0|1,0,0]=3 193 B11R1.59 CCc1ccsc1C(O)CCl Amb33221292 [1,0,1,0,0,0|1,0,0]=3 194 B11R1.59 CCc1ccsc1C(O)CF Amb32729102 [1,0,1,0,0,0|1,0,0]=3 195 B11R1.59 CCc1ccsc1C(O)CN Amb18198489 [1,0,1,0,0,0|0,0,0]=2 196 B11R1.59 CCc1ccsc1C(O)CO Amb32729103 [1,0,1,0,0,0|1,0,0]=3 197 B11R1.59 CCc1ccsc1[C@@H](N)CO Amb32729183 [1,0,1,0,0,0|2,0,0]=4 198 B11R1.59 CCc1ccsc1[C@@H](O)CN Amb32729187 [1,0,1,0,0,0|0,0,0]=2 199 B11R1.59 CCc1ccsc1[C@H](N)CO Amb32729184 [1,0,1,0,0,0|2,0,0]=4 200 B11R1.59 CCc1ccsc1[C@H](O)CN Amb32729185 [1,0,1,0,0,0|0,0,0]=2 201 B11R1.59 CCn1ccnc1C(C)CN Amb26071591 [1,0,1,0,0,0|2,0,0]=4 202 B11R1.59 CCn1ccnc1C(O)CN Amb25080485 [1,0,1,0,0,0|2,0,0]=4 203 B11R1.59 CCn1ccnc1[C@@H](O)CN Amb33415647 [1,0,1,0,0,0|2,0,0]=4 204 B11R1.59 CCn1ccnc1[C@H](O)CN Amb33415646 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.59 COc1ccsc1C(C)NN Amb27596443 [1,0,1,0,0,0|2,0,0]=4 206 B11R1.59 [C-]#[N+]C(C)c1sccc1CC Amb32729195 [1,0,1,0,0,0|1,0,1]=4 207 B11R1.168 CCC(CN)c1cccn1C Amb27604402 [1,0,1,0,0,0|2,0,0]=4 208 B11R1.168 CCC(CN)c1nccn1C Amb24334883 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.168 CCC(NN)c1sccc1Cl Amb28136430 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.168 COC(CN)c1ccsc1C Amb25095498 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.168 COC(CN)c1sccc1Br Amb27945662 [1,0,1,0,0,0|1,0,0]=3 212 B11R1.168 COC(CN)c1sccc1C Amb18980305 [1,0,1,0,0,0|0,0,0]=2 213 B11R1.168 COC(CN)c1scnc1C Amb33035141 [1,0,1,0,0,0|1,0,0]=3 214 B11R1.168 COC(CN)c1scnc1Cl Amb33034867 [1,0,1,0,0,0|2,0,0]=4 215 B11R1.168 COC(CN)c1sncc1Br Amb33034775 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.168 COC(CN)c1snnc1C Amb26894095 [1,0,1,0,0,0|2,0,0]=4 217 B11R1.168 Cc1ccoc1C(CN)CO Amb33343549 [1,0,1,0,0,0|1,1,0]=4 218 B11R1.168 Cc1ccsc1C(CN)CO Amb33203308 [1,0,1,0,0,0|1,0,0]=3 219 B11R1.168 Cc1ncsc1C(CN)CO Amb32878136 [1,0,1,0,0,0|2,0,0]=4 220 B11R1.168 NCC(CO)c1sccc1Br Amb33387166 [1,0,1,0,0,0|2,0,0]=4 221 B11R1.168 NCC(CO)c1sccc1Cl Amb33257632 [1,0,1,0,0,0|2,0,0]=4 222 B11R1.199 CCCC(Cl)c1sccc1C Amb27262009 [1,0,1,0,0,0|2,0,0]=4 223 B11R1.199 CCCC(N)c1occc1C Amb27594005 [1,0,1,0,0,0|1,1,0]=4 224 B11R1.199 CCCC(N)c1sccc1C Amb18979695 [1,0,1,0,0,0|1,0,0]=3 225 B11R1.199 CCCC(N)c1sccc1C Amb35745605 [1,0,1,0,0,0|1,0,0]=3 226 B11R1.199 CCCC(N)c1sccc1F Amb27406268 [1,0,1,0,0,0|2,0,0]=4 227 B11R1.199 CCCC(N)c1scnc1C Amb27390895 [1,0,1,0,0,0|2,0,0]=4 228 B11R1.199 CCCC(O)c1sccc1C Amb18180287 [1,0,1,0,0,0|2,0,0]=4 229 B11R1.199 CCC[C@@H](N)c1sccc1C Amb27413066 [1,0,1,0,0,0|1,0,0]=3 230 B11R1.199 CCC[C@@H](N)c1sccc1Cl Amb28399419 [1,0,1,0,0,0|2,0,0]=4 231 B11R1.199 CCC[C@H](N)c1sccc1C Amb28046866 [1,0,1,0,0,0|1,0,0]=3 232 B11R1.199 CCC[C@H](O)c1sccc1C Amb27965190 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.199 CCNC(C)c1occc1C Amb27603901 [1,0,1,0,0,0|1,1,0]=4 234 B11R1.199 CCNC(C)c1sccc1F Amb28365568 [1,0,1,0,0,0|2,0,0]=4 235 B11R1.199 CCNC(C)c1sccc1I Amb28059733 [1,0,1,0,0,0|2,0,0]=4 236 B11R1.199 CCOC(=N)c1sccc1C Amb18180214 [1,0,1,0,0,0|0,0,2]=4 237 B11R1.199 CCOC(=O)c1sccc1C Amb9242877 [1,0,1,0,0,0|1,0,1]=4 238 B11R1.199 CCOC(C)c1cccn1C Amb22496557 [1,0,1,0,0,0|2,0,0]=4 239 B11R1.199 CCOC(C)c1nccn1C Amb28400615 [1,0,1,0,0,0|2,0,0]=4 240 B11R1.199 CONC(C)c1sccc1C Amb28325018 [1,0,1,0,0,0|2,0,0]=4 241 B11R1.199 CSCC(N)c1sccc1C Amb28187971 [1,0,1,0,0,0|2,0,0]=4 242 B11R1.199 Cc1ccsc1C(C)CCCl Amb27168726 [1,0,1,0,0,0|2,0,0]=4 243 B11R1.199 Cc1ccsc1C(C)CCN Amb26372371 [1,0,1,0,0,0|2,0,0]=4 244 B11R1.199 Cc1ccsc1C(C)CCS Amb27853116 [1,0,1,0,0,0|2,0,0]=4 245 B11R1.199 Cc1ccsc1C(N)CCN Amb28197936 [1,0,1,0,0,0|2,0,0]=4 246 B11R1.199 Cc1ccsc1C(N)CCO Amb18990236 [1,0,1,0,0,0|2,0,0]=4 247 B11R1.199 Cc1ccsc1[C@@H](N)CCN Amb28142318 [1,0,1,0,0,0|2,0,0]=4 248 B11R1.199 Cc1ccsc1[C@@H](N)CCO Amb26019553 [1,0,1,0,0,0|2,0,0]=4 249 B11R1.199 Cc1ccsc1[C@H](N)CCO Amb27881637 [1,0,1,0,0,0|2,0,0]=4 250 B11R1.109 CCCn1cccc1CCN Amb18563450 [1,0,1,0,0,0|2,0,0]=4 251 B11R1.109 CCCn1ccnc1CCN Amb19035970 [1,0,1,0,0,0|2,0,0]=4 252 B11R1.109 COCc1ccoc1CCN Amb33273055 [1,0,1,0,0,0|1,1,0]=4 253 B11R1.193 CCCc1ccsc1C(=O)O Amb29884498 [1,0,1,0,0,0|1,0,1]=4 254 B11R1.193 COCc1ccoc1[C@@H](C)O Amb33423719 [1,0,1,0,0,0|1,1,0]=4 255 B11R1.193 COCc1ccoc1[C@H](C)O Amb33423718 [1,0,1,0,0,0|1,1,0]=4 256 B11R1.18 CCCCc1ccoc1CN Amb27671496 [1,0,1,0,0,0|1,1,0]=4 257 B11R1.18 CCc1ccsc1CCCO Amb32729033 [1,0,1,0,0,0|2,0,0]=4 258 B11R1.18 CCc1nccn1CCCO Amb18177337 [1,0,1,0,0,0|2,0,0]=4 259 B11R1.18 CCn1nccc1CCCO Amb27986873 [1,0,1,0,0,0|2,0,0]=4 260 B11R1.18 CSc1sccc1CCCO Amb28388109 [1,0,1,0,0,0|1,0,0]=3 261 B11R1.18 O=Cc1sccc1CCCO Amb27989313 [1,0,1,0,0,0|1,0,1]=4 262 B11R2.18 c1cc2c(o1)CCCCC2 Amb28385497 [2,0,0,0,0,0|1,1,0]=4 263 B11R2.18 c1cc2c(o1)CNCCC2 Amb18203052 [2,0,0,0,0,0|1,1,0]=4 264 B11R2.18 c1cc2c(s1)CCCCN2 Amb19373421 [2,0,0,0,0,0|2,0,0]=4 265 B11R2.18 c1cc2c(s1)CCCCN2 Amb32644496 [2,0,0,0,0,0|2,0,0]=4 266 B11R2.18 c1cc2c(s1)CCCNC2 Amb19373401 [2,0,0,0,0,0|2,0,0]=4 267 B11R2.18 c1cc2c(s1)CCCNC2 Amb25296448 [2,0,0,0,0,0|2,0,0]=4 268 B11R2.18 c1cc2c(s1)CCNCC2 Amb18831055 [2,0,0,0,0,0|2,0,0]=4 269 B11R2.18 c1cc2c(s1)CNCCC2 Amb18200901 [2,0,0,0,0,0|1,0,0]=3 270 B11R2.18 c1cc2c(s1)CNCCC2 Amb22899030 [2,0,0,0,0,0|1,0,0]=3 271 B11R2.18 c1cc2c(s1)CNCCN2 Amb19148410 [2,0,0,0,0,0|2,0,0]=4 272 B11R2.18 c1cc2c(s1)CNCCO2 Amb28315782 [2,0,0,0,0,0|2,0,0]=4 273 B11R2.18 c1cc2c(s1)CNCCS2 Amb27799932 [2,0,0,0,0,0|2,0,0]=4 274 B11R2.18 c1nc2c(s1)CNCCC2 Amb27867912 [2,0,0,0,0,0|2,0,0]=4 275 B13R1.25 CNCCC(CN)c1cc(Br)cs1 Amb33039211 [0,1,1,0,0,0|2,0,0]=4 276 B13R1.2873 CCC(C)NC(CN)c1ccco1 Amb32652557 [0,1,1,0,0,0|1,1,0]=4 277 B13R1.119 CCCCCCCCc1ccsc1 Amb17750261 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.119 CCCCCCNCc1ccsc1 Amb5262476 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.119 OCCCCCCSc1ccsc1 Amb17779304 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.119 OCCOCCNCc1ccsc1 Amb6736109 [0,1,1,0,0,0|1,0,0]=3 281 B13R1.2803 CCc1ccsc1C(CN)C(=O)O Amb32729504 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.2803 CCc1ccsc1C(CN)C(F)F Amb33407305 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.5960 CCc1ccsc1C(C)(CN)CO Amb32729190 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.5960 CCc1ccsc1C(C)(CN)OC Amb32729070 [0,1,1,0,0,0|0,0,0]=2 285 B13R1.5960 CCn1ccnc1C(C)(CN)OC Amb33415186 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.1344 CCOC(OCC)c1sccc1Br Amb10807994 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.1725 COC(=O)C(CN)c1sccc1C Amb33202930 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.208 CCCn1ccnc1C(O)CCN Amb32693693 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.208 CNCC(O)c1occc1COC Amb33423738 [0,1,1,0,0,0|1,1,0]=4 290 B13R1.208 COCc1ccoc1C(O)CCN Amb33424173 [0,1,1,0,0,0|1,1,0]=4 291 B13R1.208 COCc1ccoc1[C@@H](O)CCN Amb33448335 [0,1,1,0,0,0|1,1,0]=4 292 B13R1.208 COCc1ccoc1[C@H](O)CCN Amb33448336 [0,1,1,0,0,0|1,1,0]=4 293 B13R1.3920 COCc1ccoc1C(C)(O)CN Amb33448027 [0,1,1,0,0,0|1,1,0]=4 294 B13R2.3040 NC1CCCC(O)c2sccc21 Amb27986184 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.121 CC1CCc2ccoc2C1CO Amb28319639 [0,1,0,0,1,0|1,1,0]=4 296 B13R2.292 CCCC1CNCc2ccsc21 Amb25045450 [0,1,0,0,1,0|2,0,0]=4 297 B13R2.292 CCCC1NCCc2ccsc21 Amb25699946 [0,1,0,0,1,0|2,0,0]=4 298 B13R2.292 CCNC1CCCc2ncsc21 Amb18284468 [0,1,0,0,1,0|2,0,0]=4 299 B13R2.292 CNCC1CCCc2ccoc21 Amb27638495 [0,1,0,0,1,0|0,1,0]=3 300 B13R2.292 CNCC1CCCc2conc21 Amb27625169 [0,1,0,0,1,0|2,0,0]=4 301 B13R2.292 CNCC1CCCc2ncoc21 Amb27669972 [0,1,0,0,1,0|1,1,0]=4 302 B13R2.292 CNCC1CCCc2ocnc21 Amb27625167 [0,1,0,0,1,0|2,0,0]=4 303 B13R2.292 CNCC1OCCc2ccsc21 Amb27777370 [0,1,0,0,1,0|0,0,0]=2 304 B13R2.292 CNCC1OCCc2sccc21 Amb25773556 [0,1,0,0,1,0|2,0,0]=4 305 B13R2.292 CNC[C@@H]1CCCc2sccc21 Amb27777316 [0,1,0,0,1,0|2,0,0]=4 306 B13R2.292 COCC1NCCc2ccsc21 Amb25707376 [0,1,0,0,1,0|2,0,0]=4 307 B13R2.292 NCCC1CCCc2ncoc21 Amb27441528 [0,1,0,0,1,0|1,1,0]=4 308 B13R2.292 NCCC1CCCc2occc21 Amb18828239 [0,1,0,0,1,0|2,0,0]=4 309 B13R2.292 NCCC1CCCc2sccc21 Amb18823919 [0,1,0,0,1,0|2,0,0]=4 310 B13R2.292 NCCC1CCCn2ccnc21 Amb28368817 [0,1,0,0,1,0|2,0,0]=4 311 B13R2.292 OCCC1NCCc2ccsc21 Amb32946711 [0,1,0,0,1,0|2,0,0]=4 312 B13R2.573 NCC1OCCc2c1csc2Br Amb22713442 [0,1,0,0,1,0|2,0,0]=4 313 B13R2.581 CCC1NCCc2cc(Br)sc21 Amb27852475 [0,1,0,0,1,0|2,0,0]=4 314 B13R2.581 Cc1cc2c(s1)CCOC2CN Amb27970513 [0,1,0,0,1,0|2,0,0]=4 315 B13R2.581 Cc1cc2c(s1)CCO[C@H]2CN Amb27195906 [0,1,0,0,1,0|2,0,0]=4 316 B13R2.581 Cc1cn2c(n1)C(CN)CCC2 Amb25094580 [0,1,0,0,1,0|2,0,0]=4 317 B13R2.581 Cc1cn2c(n1)C(CN)CCC2 Amb33457482 [0,1,0,0,1,0|2,0,0]=4 318 B13R2.581 Cc1nc2c(s1)C(CN)CCC2 Amb18063174 [0,1,0,0,1,0|1,0,0]=3 319 B13R2.581 Cc1nc2c(s1)CCCC2CN Amb18648682 [0,1,0,0,1,0|2,0,0]=4 320 B13R2.581 NCC1CCCc2oc(N)nc21 Amb27445803 [0,1,0,0,1,0|2,0,0]=4 321 B13R2.581 NCC1OCCc2sc(F)cc21 Amb26057366 [0,1,0,0,1,0|2,0,0]=4 322 B13R2.581 NCC1OCCc2sc(F)cc21 Amb28600236 [0,1,0,0,1,0|2,0,0]=4 323 B13R2.582 Cn1ncc2c1C(CN)CCC2 Amb28255803 [0,1,0,0,1,0|2,0,0]=4 324 B13R2.2565 CC1(CN)OCCc2sccc21 Amb28600280 [0,1,0,0,1,0|2,0,0]=4 325 B13R2.2565 CCC1(C)CNCc2ccsc21 Amb25084242 [0,1,0,0,1,0|2,0,0]=4 326 B13R2.2565 CCC1(C)NCCc2ccsc21 Amb32646804 [0,1,0,0,1,0|2,0,0]=4 327 B13R2.2565 NC1(CO)CCCc2ccoc21 Amb27209290 [0,1,0,0,1,0|1,1,0]=4 328 B13R2.2565 NCC1(F)CCCc2sccc21 Amb27962588 [0,1,0,0,1,0|2,0,0]=4 329 B13R2.5569 CC(C)C1CNCc2ccsc21 Amb25042724 [0,1,0,0,1,0|2,0,0]=4 330 B13R2.5569 CC(C)C1NCCc2ccsc21 Amb24710325 [0,1,0,0,1,0|2,0,0]=4 331 B13R2.5569 CC(N)C1OCCc2sccc21 Amb27224967 [0,1,0,0,1,0|2,0,0]=4 332 B13R2.5569 CC(N)C1OCCc2sccc21 Amb28600254 [0,1,0,0,1,0|2,0,0]=4 333 B13R2.5569 C[C@@H](N)[C@H]1OCCc2sccc21 Amb27818141 [0,1,0,0,1,0|2,0,0]=4 334 B13R2.5569 O=C(O)C1CCCc2ccsc21 Amb27389270 [0,1,0,0,1,0|1,0,1]=4 335 B15R2.26594 NCC1(N)CCCCc2ccccc21 Amb28146083 [0,1,0,0,0,1|2,0,0]=4 336 B15R2.26594 NCC1(O)CCCCc2ccccc21 Amb9295085 [0,1,0,0,0,1|2,0,0]=4 337 B15R2.55017 CNCC1CCCCc2ccccc21 Amb27606671 [0,1,0,0,0,1|2,0,0]=4 338 B15R2.55017 NCCC1CCCCc2ccccc21 Amb19072628 [0,1,0,0,0,1|2,0,0]=4 339 B15R2.69183 CC(N)C1CCCCc2ccccc21 Amb27258641 [0,1,0,0,0,1|2,0,0]=4 340 B15R2.69183 NC(=O)C1OCCCc2ccccc21 Amb27386858 [0,1,0,0,0,1|1,0,1]=4 341 B13R2.4 BrCC1CCC(c2cccs2)O1 Amb27643098 [0,0,1,1,0,0|2,0,0]=4 342 B13R2.12 CC1CCC(c2cccs2)CN1 Amb33500885 [0,0,1,1,0,0|1,0,0]=3 343 B13R2.12 CC1CCC(c2cccs2)NC1 Amb33500881 [0,0,1,1,0,0|2,0,0]=4 344 B13R2.12 CC1COC(c2ccoc2)CN1 Amb27167388 [0,0,1,1,0,0|2,0,0]=4 345 B13R2.12 CC1COC(c2ccsc2)CN1 Amb18946616 [0,0,1,1,0,0|2,0,0]=4 346 B13R2.18 BrC1CCCCC1c2cccs2 Amb28365541 [0,0,1,1,0,0|2,0,0]=4 347 B13R2.18 CC1CCCNC1c2cccs2 Amb33500876 [0,0,1,1,0,0|2,0,0]=4 348 B13R2.18 NC1CCCCC1c2ccns2 Amb28142488 [0,0,1,1,0,0|2,0,0]=4 349 B13R2.18 NC1CCCCC1c2cncs2 Amb35608573 [0,0,1,1,0,0|2,0,0]=4 350 B13R2.18 NC1CCCNC1c2cccs2 Amb17400957 [0,0,1,1,0,0|1,0,0]=3 351 B13R2.18 NC1CCCOC1c2ccns2 Amb35682557 [0,0,1,1,0,0|1,0,0]=3 352 B13R2.18 NC1CCCOC1c2cncs2 Amb27962804 [0,0,1,1,0,0|1,0,0]=3 353 B13R2.18 NC1CCNCC1c2cccs2 Amb33500905 [0,0,1,1,0,0|2,0,0]=4 354 B13R2.18 NC1CNCCC1c2cccs2 Amb32685317 [0,0,1,1,0,0|2,0,0]=4 355 B13R2.18 NN1CCCCC1c2cccs2 Amb24385304 [0,0,1,1,0,0|2,0,0]=4 356 B13R2.18 N[C@H]1CCCO[C@@H]1c2cscn2 Amb28325106 [0,0,1,1,0,0|2,0,0]=4 357 B13R2.18 N[C@H]1CCCO[C@@H]1c2nccs2 Amb28320544 [0,0,1,1,0,0|1,0,0]=3 358 B13R2.18 OC1CCCCC1c2cccs2 Amb6333471 [0,0,1,1,0,0|2,0,0]=4 359 B13R2.18 O[C@@H]1CCCC[C@H]1c2cccs2 Amb25349469 [0,0,1,1,0,0|2,0,0]=4 360 B13R2.18 O[C@H]1CCCC[C@@H]1c2cccs2 Amb28131045 [0,0,1,1,0,0|2,0,0]=4 361 B13R2.677 c1cc(C2CNCCCO2)co1 Amb27639761 [0,0,1,1,0,0|2,0,0]=4 362 B13R2.677 c1cc(C2CNCCCO2)cs1 Amb18946617 [0,0,1,1,0,0|2,0,0]=4 363 B13R2.677 c1coc(C2CNCCCO2)c1 Amb9358527 [0,0,1,1,0,0|0,1,0]=3 364 B13R2.677 c1csc(C2CCCCCN2)c1 Amb2237242 [0,0,1,1,0,0|2,0,0]=4 365 B13R2.678 NCC(CC1CC1)c2cccs2 Amb23559924 [0,0,1,1,0,0|1,0,0]=3 366 B13R2.2302 CC1CC1C(NN)c2cccs2 Amb27234534 [0,0,1,1,0,0|2,0,0]=4 367 B13R2.2370 CCC1(c2cccs2)CCCN1 Amb27614762 [0,0,1,1,0,0|2,0,0]=4 368 B13R2.2370 ClCC1(c2cccs2)OCCO1 Amb17338207 [0,0,1,1,0,0|2,0,0]=4 369 B13R2.2370 NCC1(c2ccco2)CCCC1 Amb17106826 [0,0,1,1,0,0|1,1,0]=4 370 B13R2.2370 NCC1(c2cccs2)CCCC1 Amb33527368 [0,0,1,1,0,0|1,0,0]=3 371 B13R2.2370 NCC1(c2cccs2)CCOC1 Amb29855894 [0,0,1,1,0,0|2,0,0]=4 372 B13R2.2370 NCC1(c2cccs2)OCCO1 Amb17335758 [0,0,1,1,0,0|1,0,0]=3 373 B13R2.2370 NCC1(c2cncs2)CCCC1 Amb33270248 [0,0,1,1,0,0|2,0,0]=4 374 B13R2.2370 NCC1(c2nccs2)CCCC1 Amb27603822 [0,0,1,1,0,0|2,0,0]=4 375 B13R2.2370 OCC1(c2cccs2)CCCC1 Amb22713406 [0,0,1,1,0,0|2,0,0]=4 376 B13R2.6926 NCC(c1ccco1)C2CCC2 Amb17087371 [0,0,1,1,0,0|1,1,0]=4 377 B13R2.6926 NCC(c1cccs1)C2CCC2 Amb17087351 [0,0,1,1,0,0|1,0,0]=3 378 B13R2.6926 NCC(c1cccs1)N2CCC2 Amb27488011 [0,0,1,1,0,0|1,0,0]=3 379 B13R2.6926 NNC(c1cccs1)C2CCC2 Amb27479870 [0,0,1,1,0,0|2,0,0]=4 380 B13R2.29 BrC1CCCC1Cc2ccsc2 Amb27425313 [0,0,1,1,0,0|2,0,0]=4 381 B13R2.29 BrC1COCC1Cc2ccsc2 Amb29877872 [0,0,1,1,0,0|1,0,0]=3 382 B13R2.29 CC1COCC1Nc2ccsc2 Amb35590882 [0,0,1,1,0,0|2,0,0]=4 383 B13R2.29 ClC1COCC1Cc2ccsc2 Amb29877803 [0,0,1,1,0,0|1,0,0]=3 384 B13R2.29 NC1COCC1Cc2cccs2 Amb35608396 [0,0,1,1,0,0|2,0,0]=4 385 B13R2.29 NC1COCC1Cc2ccns2 Amb35632262 [0,0,1,1,0,0|2,0,0]=4 386 B13R2.29 NC1COCC1Cc2ccsc2 Amb35608399 [0,0,1,1,0,0|0,0,0]=2 387 B13R2.29 NC1COCC1Cc2cncs2 Amb35608404 [0,0,1,1,0,0|2,0,0]=4 388 B13R2.29 NC1COCC1Cc2cnsn2 Amb35632257 [0,0,1,1,0,0|2,0,0]=4 389 B13R2.29 NC1COCC1Cc2csnn2 Amb35608405 [0,0,1,1,0,0|2,0,0]=4 390 B13R2.29 NC1CSCC1Cc2ccoc2 Amb27412941 [0,0,1,1,0,0|0,2,0]=4 391 B13R2.29 O=C1COCC1Cc2ccsc2 Amb35736966 [0,0,1,1,0,0|1,0,1]=4 392 B13R2.29 OC1CCCC1Cc2ccsc2 Amb19074190 [0,0,1,1,0,0|2,0,0]=4 393 B13R2.29 OC1CNCC1Cc2ccsc2 Amb32950283 [0,0,1,1,0,0|2,0,0]=4 394 B13R2.29 OC1COCC1Cc2ccoc2 Amb33213678 [0,0,1,1,0,0|1,1,0]=4 395 B13R2.29 OC1COCC1Cc2ccsc2 Amb33213862 [0,0,1,1,0,0|1,0,0]=3 396 B13R2.29 OC1COCC1Cc2cscn2 Amb32945113 [0,0,1,1,0,0|2,0,0]=4 397 B13R2.29 O[C@@H]1CCC[C@H]1Cc2ccsc2 Amb32945295 [0,0,1,1,0,0|2,0,0]=4 398 B13R2.29 O[C@@H]1CNC[C@H]1Cc2ccsc2 Amb32944948 [0,0,1,1,0,0|2,0,0]=4 399 B13R2.29 O[C@@H]1COC[C@H]1Cc2ccoc2 Amb33213687 [0,0,1,1,0,0|1,1,0]=4 400 B13R2.29 O[C@@H]1COC[C@H]1Cc2ccsc2 Amb33213873 [0,0,1,1,0,0|1,0,0]=3 401 B13R2.29 O[C@@H]1COC[C@H]1Cc2cscn2 Amb32944991 [0,0,1,1,0,0|2,0,0]=4 402 B13R2.29 O[C@@H]1COC[C@H]1Nc2ccsc2 Amb35608371 [0,0,1,1,0,0|2,0,0]=4 403 B13R2.47 NCC1CC1CCc2ccsc2 Amb33320911 [0,0,1,1,0,0|1,0,0]=3 404 B13R2.47 NC[C@@H]1C[C@H]1CCc2ccsc2 Amb33223677 [0,0,1,1,0,0|1,0,0]=3 405 B13R2.61 NCC1CCCC1c2cnsc2 Amb35715884 [0,0,1,1,0,0|2,0,0]=4 406 B13R2.61 NCC1CCCC1c2cscn2 Amb27203620 [0,0,1,1,0,0|2,0,0]=4 407 B13R2.61 NCC1CCOC1c2ccsc2 Amb27623079 [0,0,1,1,0,0|2,0,0]=4 408 B13R2.61 OCC1CCCC1c2ccsc2 Amb28138521 [0,0,1,1,0,0|2,0,0]=4 409 B13R2.62 NCC1CCC1Cc2ccsc2 Amb27391003 [0,0,1,1,0,0|1,0,0]=3 410 B13R2.62 NCC1CCN1Cc2ccsc2 Amb33252030 [0,0,1,1,0,0|2,0,0]=4 411 B13R2.64 c1cc(CC2CCCCN2)cs1 Amb18967409 [0,0,1,1,0,0|1,0,0]=3 412 B13R2.64 c1cc(CC2CCCNC2)cs1 Amb26840978 [0,0,1,1,0,0|2,0,0]=4 413 B13R2.64 c1cc(CC2CNCCN2)cs1 Amb27864065 [0,0,1,1,0,0|1,0,0]=3 414 B13R2.64 c1cc(CC2COCCN2)cs1 Amb27172362 [0,0,1,1,0,0|0,0,0]=2 415 B13R2.64 c1cc(CN2CCCCN2)cs1 Amb27627043 [0,0,1,1,0,0|2,0,0]=4 416 B13R2.64 c1cc(NC2CCCOC2)cs1 Amb28291122 [0,0,1,1,0,0|2,0,0]=4 417 B13R2.64 c1ccn(CC2COCCN2)c1 Amb27172506 [0,0,1,1,0,0|2,0,0]=4 418 B13R2.64 c1coc(CC2COCCN2)c1 Amb24497476 [0,0,1,1,0,0|2,0,0]=4 419 B13R2.158 OC1CCC1CCc2ccsc2 Amb32951073 [0,0,1,1,0,0|2,0,0]=4 420 B13R2.183 C1=CC(CCc2ccsc2)NC1 Amb28075422 [0,0,1,1,0,0|1,0,1]=4 421 B13R2.183 c1cc(CCC2CCCN2)cs1 Amb25336035 [0,0,1,1,0,0|1,0,0]=3 422 B13R2.2608 CCc1ccsc1C2(CN)CC2 Amb32728268 [0,0,1,1,0,0|1,0,0]=3 423 B13R2.2608 CCc1ccsc1C2(CO)CC2 Amb32729285 [0,0,1,1,0,0|2,0,0]=4 424 B13R2.2608 CCc1ccsc1C2(NC)CC2 Amb32728994 [0,0,1,1,0,0|2,0,0]=4 425 B13R2.15 Brc1ccsc1C2CCCNC2 Amb25148641 [0,0,1,1,0,0|2,0,0]=4 426 B13R2.15 Brc1ccsc1C2CNCCO2 Amb25359952 [0,0,1,1,0,0|1,0,0]=3 427 B13R2.15 Brc1ccsc1[C@@H]2CCCNC2 Amb28457567 [0,0,1,1,0,0|2,0,0]=4 428 B13R2.15 Brc1ccsc1[C@@H]2CNCCN2 Amb27648922 [0,0,1,1,0,0|2,0,0]=4 429 B13R2.15 Brc1ccsc1[C@H]2CCCNC2 Amb28055922 [0,0,1,1,0,0|2,0,0]=4 430 B13R2.15 Cc1ccoc1C2CCCNC2 Amb33344755 [0,0,1,1,0,0|1,1,0]=4 431 B13R2.15 Cc1ccoc1C2CNCCO2 Amb33343977 [0,0,1,1,0,0|0,1,0]=3 432 B13R2.15 Cc1ccsc1C2CCCCN2 Amb3788332 [0,0,1,1,0,0|2,0,0]=4 433 B13R2.15 Cc1ccsc1C2CCCNC2 Amb18823897 [0,0,1,1,0,0|1,0,0]=3 434 B13R2.15 Cc1ccsc1C2CNCCO2 Amb27466573 [0,0,1,1,0,0|0,0,0]=2 435 B13R2.15 Cc1ccsc1C2COCCN2 Amb26017418 [0,0,1,1,0,0|2,0,0]=4 436 B13R2.15 Cc1ccsc1[C@@H]2CCCCN2 Amb27168644 [0,0,1,1,0,0|2,0,0]=4 437 B13R2.15 Cc1ccsc1[C@@H]2COCCN2 Amb27592654 [0,0,1,1,0,0|2,0,0]=4 438 B13R2.15 Cc1ccsc1[C@H]2COCCN2 Amb27400829 [0,0,1,1,0,0|2,0,0]=4 439 B13R2.15 Cc1cnoc1C2CNCCO2 Amb18826604 [0,0,1,1,0,0|1,1,0]=4 440 B13R2.15 Cc1cscc1C2CNCCO2 Amb33147703 [0,0,1,1,0,0|2,0,0]=4 441 B13R2.15 Cc1ncsc1C2CCCNC2 Amb18823481 [0,0,1,1,0,0|2,0,0]=4 442 B13R2.15 Cc1ncsc1C2CNCCO2 Amb32876341 [0,0,1,1,0,0|1,0,0]=3 443 B13R2.15 Cc1occc1C2CNCCO2 Amb33473306 [0,0,1,1,0,0|2,0,0]=4 444 B13R2.15 Cc1scnc1C2CNCCO2 Amb18822784 [0,0,1,1,0,0|2,0,0]=4 445 B13R2.15 Clc1ccsc1C2CCCNC2 Amb24664351 [0,0,1,1,0,0|2,0,0]=4 446 B13R2.15 Clc1ccsc1C2CNCCO2 Amb33257597 [0,0,1,1,0,0|1,0,0]=3 447 B13R2.15 Clc1ccsc1[C@@H]2CCCNC2 Amb28343839 [0,0,1,1,0,0|2,0,0]=4 448 B13R2.15 Cn1cccc1C2CNCCO2 Amb33314406 [0,0,1,1,0,0|2,0,0]=4 449 B13R2.15 Cn1ccnc1C2CNCCO2 Amb33226037 [0,0,1,1,0,0|2,0,0]=4 450 B13R2.144 CC1CC(c2sccc2Cl)CN1 Amb28436991 [0,0,1,1,0,0|2,0,0]=4 451 B13R2.144 Cc1ccsc1C2CNC(=O)O2 Amb33202615 [0,0,1,1,0,0|1,0,1]=4 452 B13R2.181 Cc1ccsc1C2CCCC2Cl Amb27858186 [0,0,1,1,0,0|2,0,0]=4 453 B13R2.181 Cc1ccsc1C2CCCC2O Amb26956402 [0,0,1,1,0,0|2,0,0]=4 454 B13R2.181 Cc1ccsc1C2CNCC2N Amb25946440 [0,0,1,1,0,0|2,0,0]=4 455 B13R2.181 Cc1ccsc1C2COCC2N Amb35608401 [0,0,1,1,0,0|2,0,0]=4 456 B13R2.181 Cc1ccsc1[C@@H]2CCC[C@H]2O Amb25701209 [0,0,1,1,0,0|2,0,0]=4 457 B13R2.181 Cc1ccsc1[C@H]2CCC[C@@H]2O Amb27195637 [0,0,1,1,0,0|2,0,0]=4 458 B13R2.181 Cc1ncsc1C2CCCC2N Amb35608566 [0,0,1,1,0,0|2,0,0]=4 459 B13R2.181 Cn1ccnc1C2OCCC2N Amb32666155 [0,0,1,1,0,0|2,0,0]=4 460 B13R2.181 Cn1ccnc1[C@@H]2OCC[C@H]2N Amb30123944 [0,0,1,1,0,0|2,0,0]=4 461 B13R2.181 Cn1ccnc1[C@H]2OCC[C@@H]2N Amb28901410 [0,0,1,1,0,0|2,0,0]=4 462 B13R2.181 Cn1ccnc1[C@H]2OCC[C@H]2N Amb34915531 [0,0,1,1,0,0|2,0,0]=4 463 B13R2.181 NC1CCCC1c2sccc2Cl Amb27951648 [0,0,1,1,0,0|2,0,0]=4 464 B13R2.181 NC1CCOC1c2sccc2Br Amb27270884 [0,0,1,1,0,0|1,0,0]=3 465 B13R2.8590 Cc1ccoc1C2(CN)CCC2 Amb33343931 [0,0,1,1,0,0|1,1,0]=4 466 B13R2.8590 Cc1ccsc1C2(CN)CCC2 Amb33203316 [0,0,1,1,0,0|1,0,0]=3 467 B13R2.8590 Cc1ccsc1C2(CO)CCC2 Amb33203315 [0,0,1,1,0,0|2,0,0]=4 468 B13R2.8590 Cc1ncsc1C2(CN)CCC2 Amb32876307 [0,0,1,1,0,0|2,0,0]=4 469 B13R2.8590 NCC1(c2sccc2Br)CCC1 Amb33387579 [0,0,1,1,0,0|2,0,0]=4 470 B13R2.8590 NCC1(c2sccc2Cl)CCC1 Amb33257602 [0,0,1,1,0,0|2,0,0]=4 471 B13R2.1079 CC(CN)c1scnc1C2CC2 Amb33144330 [0,0,1,1,0,0|2,0,0]=4 472 B13R2.1079 NCC(F)c1scnc1C2CC2 Amb33143963 [0,0,1,1,0,0|2,0,0]=4 473 B13R2.1079 NCC(O)c1scnc1C2CC2 Amb33144671 [0,0,1,1,0,0|1,0,0]=3 474 B13R2.1079 NC[C@@H](O)c1scnc1C2CC2 Amb33143961 [0,0,1,1,0,0|1,0,0]=3 475 B13R2.1079 NC[C@H](O)c1scnc1C2CC2 Amb33143962 [0,0,1,1,0,0|1,0,0]=3 476 B13R2.1079 OC(CBr)c1scnc1C2CC2 Amb33430561 [0,0,1,1,0,0|2,0,0]=4 477 B13R2.1079 OC(CF)c1scnc1C2CC2 Amb33143568 [0,0,1,1,0,0|2,0,0]=4 478 B13R2.1079 OCC(O)c1scnc1C2CC2 Amb33143569 [0,0,1,1,0,0|2,0,0]=4 479 B13R2.1 BrCCc1scc2c1OCCO2 Amb35685605 [0,0,1,1,0,0|2,0,0]=4 480 B13R2.1 ClCCc1scc2c1OCCO2 Amb35685604 [0,0,1,1,0,0|2,0,0]=4 481 B13R2.1 NCCc1scc2c1CCCC2 Amb18192806 [0,0,1,1,0,0|1,0,0]=3 482 B13R2.1 NCCc1scc2c1CCNC2 Amb18823471 [0,0,1,1,0,0|2,0,0]=4 483 B13R2.1 NCCc1scc2c1NCCO2 Amb18822744 [0,0,1,1,0,0|1,0,0]=3 484 B13R2.1 NNCc1scc2c1OCCO2 Amb35685717 [0,0,1,1,0,0|2,0,0]=4 485 B13R2.1 OCCc1scc2c1OCCO2 Amb33213377 [0,0,1,1,0,0|2,0,0]=4 486 B13R2.251 CN1CCc2c1csc2CCN Amb18823551 [0,0,1,1,0,0|2,0,0]=4 487 B13R2.1613 NCC1OCCc2ccccc21 Amb4241964 [0,0,1,1,0,0|1,0,1]=4 488 B13R2.1613 NCC1OCCc2ccccc21 Amb6565445 [0,0,1,1,0,0|1,0,1]=4 489 B13R3.5732 c1nc2c(s1)C3CCC(C2)C3 Amb30023845 [1,0,0,1,0,0|2,0,0]=4 490 B15R3.3681 NC1C2CCCC1c3ccccc32 Amb27407896 [0,0,0,1,0,1|2,0,0]=4 491 B15R3.11202 N[C@@H]1[C@H]2CC[C@@H]1Cc3ccccc32 Amb28320730 [0,0,0,1,0,1|2,0,0]=4 492 B11R1.189 C\C=C\C1=CC(CO)CCC1 Amb27981635 [0,0,1,0,1,0|2,0,0]=4 493 B11R2.106 CC1=NCCc2ccsc21 Amb24092194 [1,0,0,0,1,0|1,0,1]=4 494 B11R2.106 CC1CCCc2scnc21 Amb28364220 [1,0,0,0,1,0|2,0,0]=4 495 B11R2.106 CC1CCCn2ccnc21 Amb17334155 [1,0,0,0,1,0|2,0,0]=4 496 B11R2.106 CC1CNCc2ccsc21 Amb24092193 [1,0,0,0,1,0|1,0,0]=3 497 B11R2.106 CC1NCCc2ccoc21 Amb27625219 [1,0,0,0,1,0|1,1,0]=4 498 B11R2.106 CC1NCCc2ccsc21 Amb18831057 [1,0,0,0,1,0|1,0,0]=3 499 B11R2.106 CC1NCCc2ncsc21 Amb5735200 [1,0,0,0,1,0|2,0,0]=4 500 B11R2.106 FC1CNCc2ccsc21 Amb24403033 [1,0,0,0,1,0|2,0,0]=4 501 B11R2.106 NC1=NCCc2ccsc21 Amb27876086 [1,0,0,0,1,0|1,0,1]=4 502 B11R2.106 NC1CCCc2ccsc21 Amb25873815 [1,0,0,0,1,0|0,0,0]=2 503 B11R2.106 NC1CCCc2ccsc21 Amb32648107 [1,0,0,0,1,0|0,0,0]=2 504 B11R2.106 NC1CCCc2cocc21 Amb27620072 [1,0,0,0,1,0|2,0,0]=4 505 B11R2.106 NC1CCCc2cscc21 Amb18831059 [1,0,0,0,1,0|2,0,0]=4 506 B11R2.106 NC1CCCc2ncoc21 Amb27625316 [1,0,0,0,1,0|1,1,0]=4 507 B11R2.106 NC1CCCc2occc21 Amb2608215 [1,0,0,0,1,0|2,0,0]=4 508 B11R2.106 NC1CCCc2sccc21 Amb18278187 [1,0,0,0,1,0|2,0,0]=4 509 B11R2.106 NC1CCCn2ccnc21 Amb23441923 [1,0,0,0,1,0|2,0,0]=4 510 B11R2.106 O=C1CCCc2ccsc21 Amb18831190 [1,0,0,0,1,0|1,0,1]=4 511 B11R2.106 O=C1OCCc2ccsc21 Amb26050428 [1,0,0,0,1,0|1,0,1]=4 512 B11R2.106 OC1CCCc2ccoc21 Amb27956126 [1,0,0,0,1,0|1,1,0]=4 513 B11R2.106 OC1CNCc2ccsc21 Amb18644751 [1,0,0,0,1,0|2,0,0]=4 514 B11R2.191 NCC1CCc2cnoc21 Amb18832201 [0,0,0,0,2,0|1,1,0]=4 515 B11R2.191 NCC1CCc2cnsc21 Amb18830944 [0,0,0,0,2,0|1,0,0]=3 516 B11R2.191 NCC1CCc2sccc21 Amb22713443 [0,0,0,0,2,0|2,0,0]=4 517 B11R2.191 NCC1CCc2scnc21 Amb18830959 [0,0,0,0,2,0|2,0,0]=4 518 B11R2.191 NCC1CCn2ccnc21 Amb24351268 [0,0,0,0,2,0|2,0,0]=4 519 B13R1.26 CCCOC(CBr)c1ccccc1 Amb33348514 [0,0,1,0,0,1|2,0,0]=4 520 B13R1.26 CCCOC(CI)c1ccccc1 Amb33349130 [0,0,1,0,0,1|2,0,0]=4 521 B13R1.26 NCC(OCCO)c1ccccc1 Amb23580589 [0,0,1,0,0,1|2,0,0]=4 522 B13R1.372 CCCCC(CC)Cc1cccs1 Amb22493861 [0,0,1,0,0,1|2,0,0]=4 523 B13R1.28 CCCOCCCc1ccccc1 Amb24063573 [0,0,1,0,0,1|2,0,0]=4 524 B13R1.28 NCCCCCCc1ccccc1 Amb17233312 [0,0,1,0,0,1|2,0,0]=4 525 B13R1.28 NCCCCCCc1ccccn1 Amb18564087 [0,0,1,0,0,1|2,0,0]=4 526 B13R1.28 NCCNCCCc1ccccc1 Amb17091041 [0,0,1,0,0,1|2,0,0]=4 527 B13R1.28 NCCOCCCc1ccncc1 Amb9208860 [0,0,1,0,0,1|1,0,0]=3 528 B13R1.28 NCCOCCOc1ccccc1 Amb10609253 [0,0,1,0,0,1|2,0,0]=4 529 B13R1.28 NCCOCCOc1ccccc1 Amb6248766 [0,0,1,0,0,1|2,0,0]=4 530 B13R1.28 NCCOCCSc1ccccc1 Amb17402217 [0,0,1,0,0,1|2,0,0]=4 531 B13R1.28 NCCOCCSc1ccccc1 Amb32662201 [0,0,1,0,0,1|2,0,0]=4 532 B13R1.28 NCCOCCSc1ccccn1 Amb22642687 [0,0,1,0,0,1|2,0,0]=4 533 B13R1.28 NCCOCCSc1ccccn1 Amb32662220 [0,0,1,0,0,1|2,0,0]=4 534 B13R1.92 COc1ccccc1C(CN)OC Amb17335495 [0,0,1,0,0,1|2,0,0]=4 535 B13R1.646 COc1cccc(C(CN)OC)c1 Amb17335496 [0,0,1,0,0,1|2,0,0]=4 536 B13R1.646 COc1cccc(C(CN)OC)c1 Amb28555868 [0,0,1,0,0,1|2,0,0]=4 537 B13R1.2 CCCC(CN)c1cccc(C)c1 Amb17233361 [0,0,1,0,0,1|2,0,0]=4 538 B13R1.2 CCOC(CBr)c1cccc(C)c1 Amb32710549 [0,0,1,0,0,1|2,0,0]=4 539 B13R1.2 CCOC(CI)c1cccc(C)c1 Amb33348848 [0,0,1,0,0,1|2,0,0]=4 540 B13R1.2 CCOC(CN)c1cccc(Br)c1 Amb17606016 [0,0,1,0,0,1|2,0,0]=4 541 B13R1.2 CCOC(CN)c1cccc(Cl)c1 Amb17605998 [0,0,1,0,0,1|2,0,0]=4 542 B13R1.2 CCOC(CN)c1cccc(F)c1 Amb17606013 [0,0,1,0,0,1|2,0,0]=4 543 B13R1.173 CCCC(CN)c1ccccc1C Amb17233356 [0,0,1,0,0,1|2,0,0]=4 544 B13R1.173 CCOC(CBr)c1ccccc1C Amb32710406 [0,0,1,0,0,1|2,0,0]=4 545 B13R1.173 CCOC(CI)c1ccccc1C Amb33348828 [0,0,1,0,0,1|2,0,0]=4 546 B13R1.173 CCOC(CN)c1ccccc1C Amb17606025 [0,0,1,0,0,1|1,0,0]=3 547 B13R1.173 CCOC(CN)c1ccccc1Cl Amb17606018 [0,0,1,0,0,1|2,0,0]=4 548 B13R1.173 CCOC(CN)c1ccccc1F Amb17606019 [0,0,1,0,0,1|2,0,0]=4 549 B13R1.374 CCOc1cccc(C(O)CN)c1 Amb5750890 [0,0,1,0,0,1|2,0,0]=4 550 B13R1.374 CCOc1cccc([C@@H](O)CN)c1 Amb33272771 [0,0,1,0,0,1|2,0,0]=4 551 B13R1.374 CCOc1cccc([C@H](O)CN)c1 Amb33272755 [0,0,1,0,0,1|2,0,0]=4 552 B13R1.374 COCc1cccc(C(O)CN)c1 Amb33429810 [0,0,1,0,0,1|2,0,0]=4 553 B13R1.374 COCc1cccc([C@@H](O)CN)c1 Amb33415354 [0,0,1,0,0,1|2,0,0]=4 554 B13R1.374 COCc1cccc([C@H](O)CN)c1 Amb33415353 [0,0,1,0,0,1|2,0,0]=4 555 B13R1.382 CCNc1ccccc1C(O)CN Amb27771835 [0,0,1,0,0,1|2,0,0]=4 556 B13R1.382 CCOc1ccccc1C(O)CN Amb1108892 [0,0,1,0,0,1|2,0,0]=4 557 B13R1.382 CCOc1ccccc1[C@@H](O)CN Amb32942018 [0,0,1,0,0,1|2,0,0]=4 558 B13R1.382 CCOc1ccccc1[C@H](O)CN Amb32942019 [0,0,1,0,0,1|2,0,0]=4