0 B13R1.536 COC(=O)CCNCc1ccco1 Amb8830810 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.536 COC(=O)CCOCc1ccco1 Amb9206355 [0,0,0,0,0,0|0,1,0]=1 2 B13R1.536 COC(=O)CNCCn1cccc1 Amb9175060 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.536 COC(=O)\N=C\C=C\c1ccco1 Amb24095889 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.536 NNC(=O)CCNCc1ccco1 Amb17604775 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.536 N\C(CCNCc1ccco1)=N\O Amb32435050 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.37 CCCCCCCc1ccco1 Amb10070289 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.37 CCCCCNCc1ccco1 Amb5261471 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.37 CCNCCNCc1ccco1 Amb18805892 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.37 CCOCCNCc1ccco1 Amb9241000 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.37 CNCCCNCc1ccco1 Amb5261477 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.37 COCCCNCc1ccco1 Amb875961 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.37 COCCCNCc1cccs1 Amb875719 [1,0,0,0,0,0|1,1,1]=4 13 B12R1.37 CSCCCNCc1ccco1 Amb6719039 [1,0,0,0,0,0|1,1,1]=4 14 B12R1.37 S=C=NCCSCc1ccco1 Amb29845271 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.255 CC(=O)CCCCc1ccsc1 Amb33448717 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.255 CC(=O)CCCCn1cccn1 Amb9659582 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.255 CC(=O)CC\C=C\c1cccs1 Amb18224700 [1,0,0,0,0,0|1,1,1]=4 18 B12R1.255 CC(C)CCNCc1ccco1 Amb1117364 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.255 CC(N)CCCCc1ccco1 Amb22035241 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.255 CC(O)CCNCc1ccco1 Amb33496476 [1,0,0,0,0,0|1,0,2]=4 21 B12R1.255 CN(C)CCNCc1ccco1 Amb6565463 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.255 CN(C)CCNCc1ccco1 Amb7078768 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.255 NC(=O)CCNCc1ccco1 Amb8841098 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.255 O=C(Cl)CCCCc1cccs1 Amb5739989 [1,0,0,0,0,0|2,1,0]=4 25 B12R1.255 O=C(O)C#CCCc1ccco1 Amb27664517 [1,0,0,0,0,0|1,0,2]=4 26 B12R1.255 O=C(O)CCCCc1ccco1 Amb18646922 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.255 O=C(O)CCCCc1cccs1 Amb6341870 [1,0,0,0,0,0|1,1,0]=3 28 B12R1.255 O=C(O)CCCCc1ccsc1 Amb6300536 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.255 O=C(O)CCCCn1cccc1 Amb22495749 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.255 O=C(O)CCCCn1cccn1 Amb7782891 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.255 O=C(O)CCNCc1ccco1 Amb2592334 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.255 O=C(O)CCNCc1cccs1 Amb8830805 [1,0,0,0,0,0|1,1,0]=3 33 B12R1.255 O=C(O)CCNCc1ccsc1 Amb8833842 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.255 O=C(O)CCNCc1nccs1 Amb19648826 [1,0,0,0,0,0|2,1,0]=4 35 B12R1.255 O=C(O)CCSCc1ccco1 Amb6760941 [1,0,0,0,0,0|0,0,0]=1 36 B12R1.255 O=C(O)CC\C=C\c1cccs1 Amb17233930 [1,0,0,0,0,0|1,1,1]=4 37 B12R1.255 O=C(O)CNCCc1cccs1 Amb19342003 [1,0,0,0,0,0|2,1,0]=4 38 B12R1.255 O=C(O)CNCCc1cccs1 Amb7764619 [1,0,0,0,0,0|2,1,0]=4 39 B12R1.255 O=C(O)COCCc1cccs1 Amb17470682 [1,0,0,0,0,0|2,1,0]=4 40 B12R1.255 O=C(O)CO\N=C\c1ccco1 Amb1852351 [1,0,0,0,0,0|2,0,1]=4 41 B12R1.255 O=C(O)\C=C\CCc1ccco1 Amb33470069 [1,0,0,0,0,0|1,0,2]=4 42 B12R1.255 O=C(O)\C=C\SCc1ccco1 Amb20667695 [1,0,0,0,0,0|0,0,2]=3 43 B14R1.588 COC(=O)CC(C)NCc1ccco1 Amb9398669 [0,1,0,0,0,0|1,0,0]=2 44 B14R1.588 COC(=O)CC(C)NCc1cccs1 Amb9398794 [0,1,0,0,0,0|1,1,0]=3 45 B14R1.588 COC(=O)CC(O)CCc1ccsc1 Amb33321152 [0,1,0,0,0,0|3,0,0]=4 46 B14R1.588 COC(=O)CC(O)CCn1cccn1 Amb32726893 [0,1,0,0,0,0|3,0,0]=4 47 B14R1.588 COC(=O)C[C@@H](O)CCc1ccsc1 Amb33321191 [0,1,0,0,0,0|3,0,0]=4 48 B14R1.588 COC(=O)C[C@@H](O)CCn1cccn1 Amb32726896 [0,1,0,0,0,0|3,0,0]=4 49 B14R1.588 COC(=O)C[C@H](O)CCc1ccsc1 Amb33321154 [0,1,0,0,0,0|3,0,0]=4 50 B14R1.588 COC(=O)C[C@H](O)CCn1cccn1 Amb32726894 [0,1,0,0,0,0|3,0,0]=4 51 B14R1.609 CCNC(=O)CCNCc1ccco1 Amb19081606 [0,1,0,0,0,0|2,0,0]=3 52 B14R1.609 CCOC(=O)CCCCc1ccsc1 Amb22000604 [0,1,0,0,0,0|3,0,0]=4 53 B14R1.609 CCOC(=O)CCNCc1ccco1 Amb2724671 [0,1,0,0,0,0|1,0,0]=2 54 B14R1.609 CCOC(=O)CCNCc1cccs1 Amb9024129 [0,1,0,0,0,0|1,1,0]=3 55 B14R1.609 CCOC(=O)CCSCc1ccco1 Amb6356909 [0,1,0,0,0,0|0,0,0]=1 56 B14R1.715 CNC(C)CCSCc1ccc(Cl)o1 Amb32789026 [0,1,0,0,0,0|2,0,1]=4 57 B14R1.715 COC(=O)CCCCn1cc(N)cn1 Amb32705542 [0,1,0,0,0,0|3,0,0]=4 58 B14R1.715 COC(=O)CCCCn1ccc(N)n1 Amb32705541 [0,1,0,0,0,0|3,0,0]=4 59 B14R1.715 COC(=O)CCSCc1ccc(Cl)o1 Amb32789202 [0,1,0,0,0,0|0,0,0]=1 60 B14R1.715 COC(=O)\C=C\SCc1ccc(Cl)o1 Amb32789198 [0,1,0,0,0,0|0,0,2]=3 61 B14R1.715 NNC(=O)CCSCc1ccc(Cl)o1 Amb32789045 [0,1,0,0,0,0|2,0,0]=3 62 B14R1.729 COC(=O)CCCC(=O)c1cccs1 Amb7101585 [0,1,0,0,0,0|1,1,1]=4 63 B14R1.819 CNC(C)CCSCc1occc1C Amb32987480 [0,1,0,0,0,0|2,0,1]=4 64 B14R1.819 COC(=O)CCSCc1occc1C Amb32987550 [0,1,0,0,0,0|0,0,0]=1 65 B14R1.819 COC(=O)\C=C\SCc1occc1C Amb32987547 [0,1,0,0,0,0|0,0,2]=3 66 B14R1.819 Cc1ccoc1CSCCC(=O)NN Amb32987507 [0,1,0,0,0,0|2,0,0]=3 67 B14R1.986 COC(=O)C(C)CNCc1ccco1 Amb9253070 [0,1,0,0,0,0|1,0,0]=2 68 B14R1.986 COC(=O)C(C)CNCc1cccs1 Amb9253056 [0,1,0,0,0,0|1,1,0]=3 69 B14R1.986 COC(=O)C(O)CCCc1ccsc1 Amb33223679 [0,1,0,0,0,0|3,0,0]=4 70 B14R1.986 COC(=O)C(O)CCCn1cccn1 Amb32726890 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.23 CN1C(=O)CNCC1c2ccco2 Amb27242718 [0,0,0,1,0,0|3,0,0]=4 72 B14R2.72 O=C1C=CC(Cc2ccco2)CC1 Amb27187424 [0,0,0,1,0,0|2,0,1]=4 73 B14R2.72 O=C1CCN(Cc2ccco2)CC1 Amb6277721 [0,0,0,1,0,0|2,0,0]=3 74 B14R2.72 O=C1CCN(Cc2cccs2)CC1 Amb33531737 [0,0,0,1,0,0|2,1,0]=4 75 B14R2.72 O=S1CCN(Cc2ccco2)CC1 Amb28256442 [0,0,0,1,0,0|3,0,0]=4 76 B14R2.119 COC1CCN(Cc2ccco2)C1 Amb31199912 [0,0,0,1,0,0|2,0,1]=4 77 B14R2.119 CO[C@@H]1CCN(Cc2ccco2)C1 Amb28078837 [0,0,0,1,0,0|2,0,1]=4 78 B14R2.252 CC1CC(NCc2ccco2)CO1 Amb35679137 [0,0,0,1,0,0|2,0,1]=4 79 B14R2.252 CC1CCC(SCc2ccco2)C1 Amb27451853 [0,0,0,1,0,0|2,0,1]=4 80 B14R2.252 O=C1C=C(SCc2ccco2)CC1 Amb27610093 [0,0,0,1,0,0|1,0,2]=4 81 B14R2.252 O=C1CC(NCc2cccs2)CN1 Amb27590561 [0,0,0,1,0,0|2,1,0]=4 82 B14R2.252 O=C1CC(\C=C\c2ccco2)CN1 Amb25835812 [0,0,0,1,0,0|2,0,1]=4 83 B14R2.252 O=C1CC(\C=C\c2ccco2)NO1 Amb27185907 [0,0,0,1,0,0|2,0,1]=4 84 B14R2.252 O=C1CCC(CCc2ccco2)N1 Amb27868410 [0,0,0,1,0,0|3,0,0]=4 85 B14R2.252 O=C1CCC(NCc2ccco2)C1 Amb27762927 [0,0,0,1,0,0|2,0,0]=3 86 B14R2.252 O=C1CCC(SCc2ccco2)C1 Amb27393876 [0,0,0,1,0,0|1,0,0]=2 87 B14R2.252 O=C1NC(CCc2ccco2)CO1 Amb28068858 [0,0,0,1,0,0|2,0,0]=3 88 B14R2.10782 COC(=O)C1CCCc2ccsc21 Amb26853704 [0,0,0,1,0,0|3,0,0]=4 89 B14R2.10782 COC(=O)C1CCCc2nccn21 Amb24445182 [0,0,0,1,0,0|3,0,0]=4 90 B14R2.10782 COC(=O)C1CCCc2sccc21 Amb27187241 [0,0,0,1,0,0|1,1,0]=3 91 B14R2.10782 COC(=O)C1CCCn2nccc21 Amb32684986 [0,0,0,1,0,0|3,0,0]=4 92 B14R2.10782 COC(=O)C1NCCc2occc21 Amb28343124 [0,0,0,1,0,0|2,0,0]=3 93 B14R2.10782 COC(=O)C1NCCc2sccc21 Amb18957282 [0,0,0,1,0,0|2,1,0]=4 94 B14R2.10782 COC(=O)C1NCCc2sccc21 Amb32679275 [0,0,0,1,0,0|2,1,0]=4 95 B12R1.477 CCC(=O)CCCn1cccn1 Amb30623434 [0,0,0,0,1,0|3,0,0]=4 96 B12R1.477 CNC(=S)NCCc1ccco1 Amb27600456 [0,0,0,0,1,0|2,1,0]=4 97 B12R1.477 COC(=O)CCCc1cccs1 Amb448996 [0,0,0,0,1,0|0,1,0]=2 98 B12R1.477 COC(=O)CCCc1nccs1 Amb32652213 [0,0,0,0,1,0|1,1,0]=3 99 B12R1.477 COC(=O)CCCn1cccc1 Amb22971177 [0,0,0,0,1,0|2,0,0]=3 100 B12R1.477 COC(=O)CCNc1nccs1 Amb19075740 [0,0,0,0,1,0|2,1,0]=4 101 B12R1.477 COC(=O)CNCc1ccco1 Amb6686981 [0,0,0,0,1,0|1,0,0]=2 102 B12R1.477 COC(=O)COCc1ccco1 Amb9202943 [0,0,0,0,1,0|0,1,0]=2 103 B12R1.477 COC(=O)CSCc1ccco1 Amb6357576 [0,0,0,0,1,0|0,0,0]=1 104 B12R1.477 COC(=O)N\N=C\c1ccco1 Amb3355117 [0,0,0,0,1,0|2,0,1]=4 105 B12R1.477 NNC(=O)CCCc1cccs1 Amb6242608 [0,0,0,0,1,0|2,1,0]=4 106 B12R1.477 O=C(CCl)NCCc1ccco1 Amb17329057 [0,0,0,0,1,0|3,0,0]=4 107 B14R1.716 CCC(=O)CCNCc1ccccc1 Amb25040589 [0,0,0,0,0,1|3,0,0]=4 108 B14R1.716 CNC(=O)CCNCc1cccnc1 Amb19079385 [0,0,0,0,0,1|3,0,0]=4 109 B14R1.716 CNC(=O)CCNCc1cccnc1 Amb19984984 [0,0,0,0,0,1|3,0,0]=4 110 B14R1.716 CNC(=O)CCOCc1ccccc1 Amb26361930 [0,0,0,0,0,1|2,1,0]=4 111 B14R1.716 COC(=N)CCOCc1ccccc1 Amb27444424 [0,0,0,0,0,1|2,1,0]=4 112 B14R1.716 COC(=O)CCCCc1ccccc1 Amb8392132 [0,0,0,0,0,1|2,0,0]=3 113 B14R1.716 COC(=O)CCCCc1ccccn1 Amb24113266 [0,0,0,0,0,1|2,0,0]=3 114 B14R1.716 COC(=O)CCCNc1ccccn1 Amb18933129 [0,0,0,0,0,1|3,0,0]=4 115 B14R1.716 COC(=O)CCCNc1ccncc1 Amb18933138 [0,0,0,0,0,1|3,0,0]=4 116 B14R1.716 COC(=O)CCCNc1ncccn1 Amb2434810 [0,0,0,0,0,1|3,0,0]=4 117 B14R1.716 COC(=O)CCCSc1ccccc1 Amb8950459 [0,0,0,0,0,1|3,0,0]=4 118 B14R1.716 COC(=O)CCNCc1ccccc1 Amb288483 [0,0,0,0,0,1|2,0,0]=3 119 B14R1.716 COC(=O)CCNCc1ccccc1 Amb996333 [0,0,0,0,0,1|2,0,0]=3 120 B14R1.716 COC(=O)CCNCc1ccccn1 Amb8830818 [0,0,0,0,0,1|2,0,0]=3 121 B14R1.716 COC(=O)CCNCc1cccnc1 Amb9203455 [0,0,0,0,0,1|2,0,0]=3 122 B14R1.716 COC(=O)CCNCc1ccncc1 Amb8830819 [0,0,0,0,0,1|2,0,0]=3 123 B14R1.716 COC(=O)CCOCc1ccccc1 Amb7773811 [0,0,0,0,0,1|1,1,0]=3 124 B14R1.716 COC(=O)CNCCc1ccccc1 Amb6686977 [0,0,0,0,0,1|3,0,0]=4 125 B14R1.730 COC(=O)CCNCCn1cccn1 Amb13777407 [0,0,0,0,0,1|3,0,0]=4 126 B14R1.730 O=C(CCl)NCCSCc1cccs1 Amb1154125 [0,0,0,0,0,1|2,1,0]=4 127 B11R0.106 COC(=O)CCSCC(=O)OC Amb2720730 [1,0,1,0,0,0|1,0,1]=4 128 B11R1.4 CCCCNCc1ccco1 Amb1140392 [2,0,0,0,0,0|1,0,1]=4 129 B11R1.4 CCCCNCc1ccco1 Amb6867989 [2,0,0,0,0,0|1,0,1]=4 130 B11R1.4 CCCCOCc1ccco1 Amb24054478 [2,0,0,0,0,0|0,1,1]=4 131 B11R1.4 CNCCNCc1ccco1 Amb18791584 [2,0,0,0,0,0|2,0,0]=4 132 B11R1.4 CNCCSCc1ccco1 Amb18807017 [2,0,0,0,0,0|1,0,0]=3 133 B11R1.4 COCCNCc1ccco1 Amb2592327 [2,0,0,0,0,0|1,0,0]=3 134 B11R1.4 COCCNCc1cccs1 Amb10610251 [2,0,0,0,0,0|1,1,0]=4 135 B11R1.4 COCCNCc1cccs1 Amb1153808 [2,0,0,0,0,0|1,1,0]=4 136 B11R1.4 C\C=C\CNCc1ccco1 Amb17872669 [2,0,0,0,0,0|1,0,1]=4 137 B11R1.4 N#CCCSCc1ccco1 Amb9204467 [2,0,0,0,0,0|1,0,1]=4 138 B11R1.4 NCCCSCc1ccco1 Amb21984189 [2,0,0,0,0,0|1,0,1]=4 139 B11R1.4 NCCCSCc1ccco1 Amb9203028 [2,0,0,0,0,0|1,0,1]=4 140 B11R1.4 O=CCCCCc1cccs1 Amb18048615 [2,0,0,0,0,0|1,1,0]=4 141 B11R1.4 O=CCC\C=C\c1ccco1 Amb24766684 [2,0,0,0,0,0|1,0,1]=4 142 B11R1.4 OCCCNCc1ccco1 Amb2592329 [2,0,0,0,0,0|1,0,1]=4 143 B13R0.202 COC(=O)CCCCC\C=C\C(=O)O Amb33038190 [0,1,1,0,0,0|1,0,1]=4 144 B13R1.27 CCNCCSCc1ccc(Cl)o1 Amb32789098 [1,1,0,0,0,0|2,0,0]=4 145 B13R1.27 CNCCCSCc1ccc(Cl)o1 Amb32788987 [1,1,0,0,0,0|1,0,1]=4 146 B13R1.27 COCCCNCc1ccc(C)o1 Amb2592347 [1,1,0,0,0,0|1,0,1]=4 147 B13R1.27 NOCCCSCc1ccc(Cl)o1 Amb32789242 [1,1,0,0,0,0|1,0,1]=4 148 B13R1.48 COCCCNC(C)c1ccco1 Amb6730233 [1,1,0,0,0,0|1,0,1]=4 149 B13R1.119 CCOCCCNCc1ccco1 Amb2592330 [1,1,0,0,0,0|1,0,1]=4 150 B13R1.119 COCCCCNCc1ccco1 Amb18322554 [1,1,0,0,0,0|1,0,1]=4 151 B13R1.654 CCNCCSCc1occc1C Amb32987519 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.654 CNCCCSCc1occc1C Amb32987521 [1,1,0,0,0,0|1,0,1]=4 153 B13R1.654 Cc1ccoc1CSCCCON Amb32987696 [1,1,0,0,0,0|1,0,1]=4 154 B13R1.128 CC(=O)CCSCc1ccc(Cl)o1 Amb32788970 [1,1,0,0,0,0|0,0,0]=2 155 B13R1.128 CC(N)CCSCc1ccc(Cl)o1 Amb32789031 [1,1,0,0,0,0|1,0,1]=4 156 B13R1.128 CC(O)CCSCc1ccc(Cl)o1 Amb32788928 [1,1,0,0,0,0|0,0,2]=4 157 B13R1.128 Cc1ccc(CNCCC(=O)O)o1 Amb2592352 [1,1,0,0,0,0|1,0,0]=3 158 B13R1.128 Cc1ccc(CNCCC(=O)O)s1 Amb8833761 [1,1,0,0,0,0|1,1,0]=4 159 B13R1.128 Cc1nc(CSCCC(=O)O)cs1 Amb194172 [1,1,0,0,0,0|2,0,0]=4 160 B13R1.128 NC(=O)CCSCc1ccc(Cl)o1 Amb32789090 [1,1,0,0,0,0|1,0,0]=3 161 B13R1.128 Nc1ccc(CNCCC(=O)O)o1 Amb18625750 [1,1,0,0,0,0|1,0,0]=3 162 B13R1.128 O=C(O)CCNCc1cc(Br)cs1 Amb8833722 [1,1,0,0,0,0|1,1,0]=4 163 B13R1.128 O=C(O)CCSCc1ccc(Cl)o1 Amb32789194 [1,1,0,0,0,0|0,0,0]=2 164 B13R1.128 O=C(O)\C=C\SCc1ccc(Cl)o1 Amb32789191 [1,1,0,0,0,0|0,0,2]=4 165 B13R1.167 CC(=O)CCSCc1occc1C Amb32987868 [1,1,0,0,0,0|0,0,0]=2 166 B13R1.167 Cc1ccoc1CSCCC(=O)O Amb32987543 [1,1,0,0,0,0|0,0,0]=2 167 B13R1.167 Cc1ccoc1CSCCC(C)N Amb32987483 [1,1,0,0,0,0|1,0,1]=4 168 B13R1.167 Cc1ccoc1CSCCC(C)O Amb32987916 [1,1,0,0,0,0|0,0,2]=4 169 B13R1.167 Cc1ccoc1CSCCC(N)=O Amb32987685 [1,1,0,0,0,0|1,0,0]=3 170 B13R1.167 Cc1ccoc1CS\C=C\C(=O)O Amb32987541 [1,1,0,0,0,0|0,0,2]=4 171 B13R1.167 Cc1ccsc1CNCCC(=O)O Amb8833843 [1,1,0,0,0,0|1,1,0]=4 172 B13R1.167 Cn1nccc1CSCCC(=O)O Amb6891428 [1,1,0,0,0,0|2,0,0]=4 173 B13R1.342 CC(=O)CCNC(=O)c1ccco1 Amb17102878 [1,1,0,0,0,0|1,0,1]=4 174 B13R1.342 O=C(O)CCNC(=O)c1ccco1 Amb1105143 [1,1,0,0,0,0|1,0,1]=4 175 B13R1.344 CC(=O)CC\C(C)=C\c1ccco1 Amb33311253 [1,1,0,0,0,0|1,0,1]=4 176 B13R1.344 CN(CCC(=O)O)Cc1ccco1 Amb9250486 [1,1,0,0,0,0|1,0,0]=3 177 B13R1.344 C\C(=C/c1ccco1)CCC(=O)O Amb33311974 [1,1,0,0,0,0|1,0,1]=4 178 B13R1.593 CC(=O)CC(=O)NCc1ccco1 Amb3685915 [1,1,0,0,0,0|1,0,1]=4 179 B13R1.593 CC(=O)CC(C)SCc1ccco1 Amb15691679 [1,1,0,0,0,0|0,0,0]=2 180 B13R1.593 CC(CC(=O)O)NCc1ccco1 Amb9398668 [1,1,0,0,0,0|1,0,0]=3 181 B13R1.593 O=C(O)CC(=O)NCc1ccco1 Amb17400963 [1,1,0,0,0,0|1,0,1]=4 182 B13R1.1110 CC(CNCc1ccco1)C(=O)O Amb9400542 [1,1,0,0,0,0|1,0,0]=3 183 B13R1.1110 NC(CSCc1nccs1)C(=O)O Amb19882253 [1,1,0,0,0,0|1,1,0]=4 184 B13R1.162 CNC(=O)CCC(O)c1cccs1 Amb17337424 [0,1,0,0,1,0|1,1,0]=4 185 B13R1.162 COC(=O)C#CC(C)c1ccco1 Amb33168892 [0,1,0,0,1,0|0,0,2]=4 186 B13R1.162 COC(=O)C#CC(O)c1ccco1 Amb28069426 [0,1,0,0,1,0|0,0,2]=4 187 B13R1.162 COC(=O)C#C[C@@H](O)c1ccco1 Amb28455310 [0,1,0,0,1,0|0,0,2]=4 188 B13R1.162 COC(=O)CCC(N)c1ccco1 Amb33429840 [0,1,0,0,1,0|0,0,0]=2 189 B13R1.162 COC(=O)CCC(N)c1cccs1 Amb18322187 [0,1,0,0,1,0|0,1,0]=3 190 B13R1.162 COC(=O)CCC(N)c1ccoc1 Amb33172527 [0,1,0,0,1,0|2,0,0]=4 191 B13R1.162 COC(=O)CCC(N)c1ccon1 Amb33203402 [0,1,0,0,1,0|2,0,0]=4 192 B13R1.162 COC(=O)CCC(N)c1ccsc1 Amb33171410 [0,1,0,0,1,0|2,0,0]=4 193 B13R1.162 COC(=O)CCC(N)c1cnco1 Amb33319964 [0,1,0,0,1,0|1,0,0]=3 194 B13R1.162 COC(=O)CCC(N)c1cncs1 Amb33268783 [0,1,0,0,1,0|1,1,0]=4 195 B13R1.162 COC(=O)CCC(N)c1cscn1 Amb33417840 [0,1,0,0,1,0|2,0,0]=4 196 B13R1.162 COC(=O)CCC(N)c1nccs1 Amb33310364 [0,1,0,0,1,0|1,1,0]=4 197 B13R1.162 COC(=O)CNC(=O)c1ccco1 Amb1213438 [0,1,0,0,1,0|1,0,1]=4 198 B13R1.545 CNC(=O)NC(C)Cc1ccco1 Amb27774627 [0,1,0,0,1,0|2,0,0]=4 199 B13R1.545 COC(=O)CC(N)Cc1nccs1 Amb33035916 [0,1,0,0,1,0|1,1,0]=4 200 B13R1.554 COC(=O)C(N)CCc1cccs1 Amb32940430 [0,1,0,0,1,0|0,1,0]=3 201 B13R1.554 COC(=O)C(N)CCc1ccns1 Amb33036521 [0,1,0,0,1,0|1,1,0]=4 202 B13R1.554 COC(=O)C(N)CCc1ccsc1 Amb33036925 [0,1,0,0,1,0|2,0,0]=4 203 B13R1.554 COC(=O)C(N)CCn1cccn1 Amb18318592 [0,1,0,0,1,0|2,0,0]=4 204 B13R1.554 COC(=O)C(O)CCc1ccsc1 Amb33079497 [0,1,0,0,1,0|2,0,0]=4 205 B13R1.554 COC(=O)C(O)CCn1cccn1 Amb32726889 [0,1,0,0,1,0|2,0,0]=4 206 B13R1.599 CCC(=O)CSCc1occc1C Amb32987867 [0,1,0,0,1,0|1,0,0]=3 207 B13R1.599 COC(=O)CSCc1occc1C Amb32987544 [0,1,0,0,1,0|0,0,0]=2 208 B13R1.599 Cc1ccoc1CSCC(=O)NN Amb32987497 [0,1,0,0,1,0|2,0,0]=4 209 B13R1.717 CCC(=O)CSCc1ccc(Cl)o1 Amb32788968 [0,1,0,0,1,0|1,0,0]=3 210 B13R1.717 CNC(=O)NCCc1ccc(C)o1 Amb27752815 [0,1,0,0,1,0|2,0,0]=4 211 B13R1.717 COC(=O)CCCc1csc(N)n1 Amb20667848 [0,1,0,0,1,0|2,0,0]=4 212 B13R1.717 COC(=O)CCCc1nc(C)cs1 Amb32652026 [0,1,0,0,1,0|1,1,0]=4 213 B13R1.717 COC(=O)CCCc1nc(C)no1 Amb20627343 [0,1,0,0,1,0|2,0,0]=4 214 B13R1.717 COC(=O)CCCn1cc(N)cn1 Amb8961160 [0,1,0,0,1,0|2,0,0]=4 215 B13R1.717 COC(=O)CCCn1ccc(N)n1 Amb19057072 [0,1,0,0,1,0|2,0,0]=4 216 B13R1.717 COC(=O)CNCc1ccc(Cl)s1 Amb6707544 [0,1,0,0,1,0|1,1,0]=4 217 B13R1.717 COC(=O)CSCc1ccc(Cl)o1 Amb32789195 [0,1,0,0,1,0|0,0,0]=2 218 B13R1.717 COC(=O)CSCc1csc(N)n1 Amb9266180 [0,1,0,0,1,0|2,0,0]=4 219 B13R1.717 NNC(=O)CSCc1ccc(Cl)o1 Amb32789044 [0,1,0,0,1,0|2,0,0]=4 220 B15R1.741 COC(=O)CC(C)NCc1ccccc1 Amb9398411 [0,1,0,0,0,1|2,0,0]=4 221 B15R1.741 COC(=O)CC(C)NCc1ccccn1 Amb9398629 [0,1,0,0,0,1|2,0,0]=4 222 B15R1.741 COC(=O)CC(C)NCc1cccnc1 Amb9398689 [0,1,0,0,0,1|2,0,0]=4 223 B15R1.741 COC(=O)CC(C)NCc1ccncc1 Amb9398691 [0,1,0,0,0,1|2,0,0]=4 224 B15R1.741 COC(=O)CC(N)CCc1ccccc1 Amb32645727 [0,1,0,0,0,1|2,0,0]=4 225 B15R1.741 COC(=O)C[C@@H](C)NCc1ccccc1 Amb28388658 [0,1,0,0,0,1|2,0,0]=4 226 B15R1.741 COC(=O)C[C@@H](N)CCc1ccccc1 Amb33456352 [0,1,0,0,0,1|2,0,0]=4 227 B15R1.741 COC(=O)C[C@@H](N)CCc1ccccc1 Amb33456353 [0,1,0,0,0,1|2,0,0]=4 228 B15R1.741 COC(=O)C[C@H](N)CCc1ccccc1 Amb33456266 [0,1,0,0,0,1|2,0,0]=4 229 B15R1.741 COC(=O)C[C@H](N)CCc1ccccc1 Amb33456271 [0,1,0,0,0,1|2,0,0]=4 230 B15R1.778 CCOC(=O)CCNCc1ccccc1 Amb1930738 [0,1,0,0,0,1|2,0,0]=4 231 B15R1.778 CCOC(=O)CCNCc1ccccc1 Amb33280205 [0,1,0,0,0,1|2,0,0]=4 232 B15R1.778 CCOC(=O)CCNCc1ccccn1 Amb9024198 [0,1,0,0,0,1|2,0,0]=4 233 B15R1.778 CCOC(=O)CCNCc1cccnc1 Amb9024201 [0,1,0,0,0,1|2,0,0]=4 234 B15R1.778 CCOC(=O)CCNCc1ccncc1 Amb9024200 [0,1,0,0,0,1|2,0,0]=4 235 B15R1.778 CCOC(=O)CCOCc1ccccc1 Amb9026131 [0,1,0,0,0,1|1,1,0]=4 236 B15R1.778 COCC(=O)CCNCc1ccccc1 Amb33131395 [0,1,0,0,0,1|2,0,0]=4 237 B15R1.942 COC(=O)CCNCc1cccc(Br)c1 Amb32729433 [0,1,0,0,0,1|2,0,0]=4 238 B15R1.942 COC(=O)CCNCc1cccc(C)c1 Amb8831552 [0,1,0,0,0,1|2,0,0]=4 239 B15R1.942 COC(=O)CCOCc1cccc(Br)c1 Amb28905992 [0,1,0,0,0,1|1,1,0]=4 240 B15R1.942 COC(=O)CCSCc1cccc(N)c1 Amb9482068 [0,1,0,0,0,1|1,0,0]=3 241 B15R1.959 COC(=O)CCCC(N)c1ccccc1 Amb32653382 [0,1,0,0,0,1|2,0,0]=4 242 B15R1.959 COC(=O)CCCC(N)c1ccccc1 Amb33552526 [0,1,0,0,0,1|2,0,0]=4 243 B15R1.959 COC(=O)CCCC(O)c1ccccc1 Amb18627401 [0,1,0,0,0,1|2,0,0]=4 244 B15R1.959 COC(=O)CCNC(C)c1ccccc1 Amb22586709 [0,1,0,0,0,1|2,0,0]=4 245 B15R1.959 COC(=O)CCNC(C)c1ccccc1 Amb842474 [0,1,0,0,0,1|2,0,0]=4 246 B15R1.964 COC(=O)CCC(N)Cc1ccccc1 Amb22059181 [0,1,0,0,0,1|2,0,0]=4 247 B15R1.964 COC(=O)CCC(N)Cc1ccccc1 Amb28872538 [0,1,0,0,0,1|2,0,0]=4 248 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 Amb7755700 [0,1,0,0,0,1|2,0,0]=4 249 B15R1.1321 COC(=O)C(Br)COCc1ccccc1 Amb26452853 [0,1,0,0,0,1|1,1,0]=4 250 B15R1.1321 COC(=O)C(C)CCCc1ccccc1 Amb8392134 [0,1,0,0,0,1|2,0,0]=4 251 B15R1.1321 COC(=O)C(C)CNCc1ccccc1 Amb2725270 [0,1,0,0,0,1|2,0,0]=4 252 B15R1.1321 COC(=O)C(C)CNCc1ccccn1 Amb9253100 [0,1,0,0,0,1|2,0,0]=4 253 B15R1.1321 COC(=O)C(C)CNCc1cccnc1 Amb9253102 [0,1,0,0,0,1|2,0,0]=4 254 B15R1.1321 COC(=O)C(C)CNCc1ccncc1 Amb9253101 [0,1,0,0,0,1|2,0,0]=4 255 B15R1.1321 COC(=O)C(C)COCc1ccccc1 Amb9399794 [0,1,0,0,0,1|1,1,0]=4 256 B15R1.1321 COC(=O)C(I)CNCc1ccccc1 Amb28047499 [0,1,0,0,0,1|2,0,0]=4 257 B15R1.1321 COC(=O)C(N)CCCc1ccccc1 Amb34912861 [0,1,0,0,0,1|2,0,0]=4 258 B15R1.1321 COC(=O)C(N)COCc1ccccc1 Amb24081016 [0,1,0,0,0,1|1,1,0]=4 259 B15R1.1321 COC(=O)C(O)CCCc1ccccc1 Amb28963669 [0,1,0,0,0,1|2,0,0]=4 260 B15R1.1321 COC(=O)C(O)COCc1ccccc1 Amb22641879 [0,1,0,0,0,1|1,1,0]=4 261 B15R1.1321 COC(=O)[C@@H](C)CNCc1ccccc1 Amb27466484 [0,1,0,0,0,1|2,0,0]=4 262 B15R1.1321 COC(=O)[C@@H](C)COCc1ccccc1 Amb26332074 [0,1,0,0,0,1|1,1,0]=4 263 B15R1.1321 COC(=O)[C@@H](N)COCc1ccccc1 Amb10844864 [0,1,0,0,0,1|1,1,0]=4 264 B15R1.1321 COC(=O)[C@@H](N)COCc1ccccc1 Amb22746151 [0,1,0,0,0,1|1,1,0]=4 265 B15R1.1321 COC(=O)[C@@H](N)CSCc1ccccc1 Amb16183933 [0,1,0,0,0,1|1,0,0]=3 266 B15R1.1321 COC(=O)[C@@H](N)CSCc1ccccc1 Amb19944285 [0,1,0,0,0,1|1,0,0]=3 267 B15R1.1321 COC(=O)[C@@H](O)CNCc1ccccc1 Amb27604331 [0,1,0,0,0,1|2,0,0]=4 268 B15R1.1321 COC(=O)[C@@H](O)COCc1ccccc1 Amb2697757 [0,1,0,0,0,1|1,1,0]=4 269 B15R1.1321 COC(=O)[C@H](N)CCCc1ccccc1 Amb34912871 [0,1,0,0,0,1|2,0,0]=4 270 B15R1.1321 COC(=O)[C@H](O)COCc1ccccc1 Amb17617212 [0,1,0,0,0,1|1,1,0]=4 271 B15R1.961 CCC(=O)CCCSCc1ccc(Cl)o1 Amb32788616 [0,1,0,0,0,1|1,0,0]=3 272 B15R1.961 COC(=O)CCCSCc1ccc(Cl)o1 Amb32789222 [0,1,0,0,0,1|0,0,0]=2 273 B15R1.961 COC(=O)\C=C\CSCc1ccc(Cl)o1 Amb32789211 [0,1,0,0,0,1|0,0,1]=3 274 B15R1.961 NNC(=O)CCCSCc1ccc(Cl)o1 Amb32789028 [0,1,0,0,0,1|2,0,0]=4 275 B15R1.3174 CCC(=O)CCCSCc1occc1C Amb32987881 [0,1,0,0,0,1|1,0,0]=3 276 B15R1.3174 COC(=O)CCCSCc1occc1C Amb32987569 [0,1,0,0,0,1|0,0,0]=2 277 B15R1.3174 COC(=O)\C=C\CSCc1occc1C Amb32987539 [0,1,0,0,0,1|0,0,1]=3 278 B15R1.3174 Cc1ccoc1CSCCCC(=O)NN Amb32987509 [0,1,0,0,0,1|2,0,0]=4 279 B15R1.451 COC(CCSCc1ccc(Cl)o1)OC Amb32788654 [0,2,0,0,0,0|0,0,2]=4 280 B15R1.10057 COC(CCSCc1occc1C)OC Amb32987900 [0,2,0,0,0,0|0,0,2]=4 281 B15R1.740 CC(CC(=O)NN)SCc1ccc(Cl)o1 Amb32789041 [0,2,0,0,0,0|2,0,0]=4 282 B15R1.740 COC(=O)CC(C)SCc1ccc(Cl)o1 Amb32789221 [0,2,0,0,0,0|0,0,0]=2 283 B15R1.742 COC(=O)CC(C)SCc1occc1C Amb32987568 [0,2,0,0,0,0|0,0,0]=2 284 B15R1.742 Cc1ccoc1CSC(C)CC(=O)NN Amb32987511 [0,2,0,0,0,0|2,0,0]=4 285 B15R1.948 COC(=O)CC(O)\C(C)=C\c1ccco1 Amb33311186 [0,2,0,0,0,0|1,0,1]=4 286 B15R1.948 COC(=O)C[C@@H](O)\C(C)=C\c1ccco1 Amb33311289 [0,2,0,0,0,0|1,0,1]=4 287 B15R1.948 COC(=O)C[C@H](O)\C(C)=C\c1ccco1 Amb33311288 [0,2,0,0,0,0|1,0,1]=4 288 B15R1.777 CCOC(=O)CCSCc1ccc(Cl)o1 Amb32789223 [0,2,0,0,0,0|0,0,0]=2 289 B15R1.777 CCOC(=O)\C=C\SCc1ccc(Cl)o1 Amb32789282 [0,2,0,0,0,0|0,0,2]=4 290 B15R1.3857 CCOC(=O)CCSCc1occc1C Amb32987570 [0,2,0,0,0,0|0,0,0]=2 291 B15R1.3857 CCOC(=O)\C=C\SCc1occc1C Amb32987674 [0,2,0,0,0,0|0,0,2]=4 292 B15R1.43 CCc1ccc(CSCCC(=O)NN)o1 Amb32987223 [0,2,0,0,0,0|2,0,0]=4 293 B15R1.43 CCc1ccc(CSCCC(=O)OC)o1 Amb32987389 [0,2,0,0,0,0|0,0,0]=2 294 B15R1.43 CCc1ccc(CS\C=C\C(=O)OC)o1 Amb32987397 [0,2,0,0,0,0|0,0,2]=4 295 B15R1.1320 CC(CSCc1ccc(Cl)o1)C(=O)NN Amb32789047 [0,2,0,0,0,0|2,0,0]=4 296 B15R1.1320 COC(=O)C(Br)CSCc1ccc(Cl)o1 Amb32789231 [0,2,0,0,0,0|0,0,0]=2 297 B15R1.1320 COC(=O)C(C)CSCc1ccc(Cl)o1 Amb32789220 [0,2,0,0,0,0|0,0,0]=2 298 B15R1.1320 COC(=O)C(N)CSCc1ccc(Cl)o1 Amb32789001 [0,2,0,0,0,0|0,0,0]=2 299 B15R1.1320 COC(=O)C(O)CSCc1ccc(Cl)o1 Amb32789229 [0,2,0,0,0,0|0,0,0]=2 300 B15R1.3006 COC(=O)CCC(N)C(O)c1cccs1 Amb18109072 [0,2,0,0,0,0|1,1,0]=4 301 B15R1.1341 COC(=O)C(O)C\C(C)=C\c1ccco1 Amb33311283 [0,2,0,0,0,0|1,0,1]=4 302 B15R1.1417 COC(=O)C(Br)CSCc1occc1C Amb32987579 [0,2,0,0,0,0|0,0,0]=2 303 B15R1.1417 COC(=O)C(C)CSCc1occc1C Amb32987567 [0,2,0,0,0,0|0,0,0]=2 304 B15R1.1417 COC(=O)C(N)CSCc1occc1C Amb32987528 [0,2,0,0,0,0|0,0,0]=2 305 B15R1.1417 COC(=O)C(O)CSCc1occc1C Amb32987577 [0,2,0,0,0,0|0,0,0]=2 306 B15R1.1417 Cc1ccoc1CSCC(C)C(=O)NN Amb32987512 [0,2,0,0,0,0|2,0,0]=4 307 B13R1.528 COC(=O)CCc1ccccc1O Amb2722678 [0,0,1,1,0,0|1,0,1]=4 308 B13R1.15 COC(=O)CCc1cccc(O)c1 Amb2695338 [0,0,1,1,0,0|1,0,1]=4 309 B13R2.183 C1=CCC(NCc2ccco2)C1 Amb27249180 [1,0,0,1,0,0|2,0,0]=4 310 B13R2.183 c1coc(CSC2CCCC2)c1 Amb28193657 [1,0,0,1,0,0|1,0,1]=4 311 B13R2.183 c1coc(CSC2CCNC2)c1 Amb18988570 [1,0,0,1,0,0|1,0,1]=4 312 B13R2.677 c1coc(C2CCNCCS2)c1 Amb22642300 [1,0,0,1,0,0|2,0,0]=4 313 B13R2.13 O=C1CCCC(c2cccs2)C1 Amb18564148 [1,0,0,1,0,0|1,1,0]=4 314 B13R2.13 O=C1CCNC(c2ccco2)C1 Amb17232522 [1,0,0,1,0,0|1,0,0]=3 315 B13R2.13 O=C1CCNC(c2cccs2)C1 Amb17233846 [1,0,0,1,0,0|1,1,0]=4 316 B13R2.13 O=C1CCNC(c2cnco2)C1 Amb18827849 [1,0,0,1,0,0|2,0,0]=4 317 B13R2.13 O=C1CCOC(c2ccco2)C1 Amb27860978 [1,0,0,1,0,0|0,1,0]=3 318 B13R2.142 O=C1CCN(Cc2ccco2)C1 Amb8947952 [1,0,0,1,0,0|1,0,0]=3 319 B13R2.687 O=C(O)CC1CCc2cccn21 Amb18646299 [1,0,0,1,0,0|2,0,0]=4 320 B13R2.687 O=C(O)CC1CCc2oncc21 Amb18827373 [1,0,0,1,0,0|2,0,0]=4 321 B13R2.5569 O=C(O)C1CCCc2sccc21 Amb18948478 [1,0,0,1,0,0|1,1,0]=4 322 B13R2.5569 O=C(O)C1CNCc2sccc21 Amb28348726 [1,0,0,1,0,0|1,1,0]=4 323 B13R2.5569 O=C(O)C1NCCc2occc21 Amb18827357 [1,0,0,1,0,0|2,0,0]=4 324 B13R2.5569 O=C(O)C1NCCc2occc21 Amb28653064 [1,0,0,1,0,0|2,0,0]=4 325 B13R2.12 O=C1CCC(c2ccco2)CC1 Amb18563610 [0,0,0,1,1,0|1,0,0]=3 326 B13R2.12 O=C1CCC(c2cccs2)CC1 Amb18564147 [0,0,0,1,1,0|1,1,0]=4 327 B13R2.12 O=C1CCC(c2cccs2)CN1 Amb17400887 [0,0,0,1,1,0|1,1,0]=4 328 B13R2.12 O=C1CCC(c2ncco2)CC1 Amb27225063 [0,0,0,1,1,0|2,0,0]=4 329 B13R2.12 O=C1COC(c2ccco2)CN1 Amb28250861 [0,0,0,1,1,0|1,1,0]=4 330 B13R2.12 O=C1NCC(c2ccco2)CN1 Amb25135221 [0,0,0,1,1,0|2,0,0]=4 331 B13R2.589 COC1CCCc2occc2C1 Amb27175590 [0,0,0,1,1,0|1,0,1]=4 332 B13R2.1095 COC(=O)C1CCc2ccnn21 Amb27208751 [0,0,0,1,1,0|2,0,0]=4 333 B13R2.1095 COC(=O)C1CCc2oncc21 Amb23596856 [0,0,0,1,1,0|1,0,0]=3 334 B13R2.2348 CC1=C(c2ccco2)CCC1=O Amb27830630 [0,0,0,1,1,0|1,0,1]=4 335 B13R2.2348 CC1C(=O)CCC1c2ccco2 Amb27482940 [0,0,0,1,1,0|1,0,0]=3 336 B13R2.2348 CC1C(=O)CCC1c2cccs2 Amb27251516 [0,0,0,1,1,0|1,1,0]=4 337 B13R2.2348 CN1C(=O)CNC1c2ccco2 Amb27260084 [0,0,0,1,1,0|2,0,0]=4 338 B13R2.2348 CN1C(=O)NCC1c2ccco2 Amb25997812 [0,0,0,1,1,0|2,0,0]=4 339 B15R2.4 COC(=O)CC1NCc2ccccc21 Amb22497860 [0,0,0,1,0,1|2,0,0]=4 340 B15R2.4 COC(=O)C[C@H]1NCc2ccccc21 Amb27878658 [0,0,0,1,0,1|2,0,0]=4 341 B15R2.283 O=C1CC(SCc2ccccc2)CN1 Amb28408803 [0,0,0,1,0,1|2,0,0]=4 342 B15R2.1561 COC(=O)C1CN1Cc2ccccc2 Amb22504624 [0,0,0,1,0,1|2,0,0]=4 343 B15R2.1600 COC(=O)C1CCC1c2ccccc2 Amb23453479 [0,0,0,1,0,1|2,0,0]=4 344 B15R2.79765 COC(=O)C1CCCc2ccccc21 Amb8331050 [0,0,0,1,0,1|2,0,0]=4 345 B15R2.79765 COC(=O)C1CCCc2cccnc21 Amb26914216 [0,0,0,1,0,1|2,0,0]=4 346 B15R2.79765 COC(=O)C1CCCc2cnccc21 Amb27270838 [0,0,0,1,0,1|2,0,0]=4 347 B15R2.79765 COC(=O)C1CCCc2ncccc21 Amb28041481 [0,0,0,1,0,1|2,0,0]=4 348 B15R2.79765 COC(=O)C1CNCc2ccccc21 Amb10067661 [0,0,0,1,0,1|2,0,0]=4 349 B15R2.79765 COC(=O)C1CNCc2ccccc21 Amb15691942 [0,0,0,1,0,1|2,0,0]=4 350 B15R2.79765 COC(=O)[C@H]1CCCc2ccccc21 Amb28192440 [0,0,0,1,0,1|2,0,0]=4 351 B15R2.100 O=C1CCN(CCc2ccco2)CC1 Amb17235610 [0,0,0,1,0,1|2,0,0]=4 352 B15R2.286 O=C1CCC(CNCc2ccco2)N1 Amb33230881 [0,0,0,1,0,1|2,0,0]=4 353 B15R2.1560 COC(=O)C1CNCC1c2ccco2 Amb27656504 [0,0,0,1,0,1|1,0,0]=3 354 B15R2.1560 COC(=O)C1CNCC1c2cccs2 Amb33469281 [0,0,0,1,0,1|1,1,0]=4 355 B15R2.7223 CC1C(=O)CCC1SCc2ccco2 Amb27390863 [0,0,0,1,0,1|1,0,0]=3 356 B15R2.19139 CCC(=O)NC1CCCc2occc21 Amb20637415 [0,0,0,1,0,1|2,0,0]=4 357 B15R2.19139 CNC(=O)CC1NCCc2occc21 Amb32647615 [0,0,0,1,0,1|2,0,0]=4 358 B15R2.19139 COC(=O)CC1CNCc2sccc21 Amb27215621 [0,0,0,1,0,1|1,1,0]=4 359 B15R2.1117 O=C1CCCC(NCc2ccco2)C1 Amb27972243 [0,1,0,1,0,0|2,0,0]=4 360 B15R2.1117 O=C1CCCC(OCc2ccco2)C1 Amb27808132 [0,1,0,1,0,0|1,1,0]=4 361 B15R2.25270 CC1(CCc2ccco2)COC(=O)N1 Amb28183713 [0,1,0,1,0,0|2,0,0]=4 362 B15R2.17340 CCOC(=O)C1CCCc2cccn21 Amb27454937 [0,1,0,1,0,0|2,0,0]=4 363 B15R2.17340 CCOC(=O)C1NCCc2occc21 Amb28903921 [0,1,0,1,0,0|2,0,0]=4 364 B15R2.17340 CCOC(=O)C1NCCc2occc21 Amb32667622 [0,1,0,1,0,0|2,0,0]=4 365 B15R2.98 O=C1CCN(Cc2ccc(Br)o2)CC1 Amb27212163 [0,1,0,1,0,0|2,0,0]=4 366 B15R2.98 O=C1CCN(Cc2ccc(Cl)o2)CC1 Amb35736555 [0,1,0,1,0,0|2,0,0]=4 367 B15R2.288 O=C1CC(NCc2ccc(I)o2)CN1 Amb27824224 [0,1,0,1,0,0|2,0,0]=4 368 B15R2.288 O=C1CCC(SCc2ccc(Cl)o2)C1 Amb32788971 [0,1,0,1,0,0|1,0,0]=3 369 B15R2.19309 COC(=O)C1CNCc2oc(Br)cc21 Amb27782522 [0,1,0,1,0,0|1,0,0]=3 370 B15R2.19309 COC(=O)C1NCCc2oc(C)cc21 Amb27407090 [0,1,0,1,0,0|2,0,0]=4 371 B15R2.101 COC(=O)C1CSC(c2ccco2)N1 Amb33747235 [0,1,0,1,0,0|0,0,0]=2 372 B15R2.101 COC(=O)C1CSC(c2cccs2)N1 Amb33737601 [0,1,0,1,0,0|0,1,0]=3 373 B15R2.101 COC(=O)C1CSC(c2ccsc2)N1 Amb33746349 [0,1,0,1,0,0|2,0,0]=4 374 B15R2.101 COC(=O)[C@@H]1CC[C@@H](c2cccs2)N1 Amb33732546 [0,1,0,1,0,0|1,1,0]=4 375 B15R2.285 CC(NC1CNC(=O)C1)c2ccco2 Amb28458119 [0,1,0,1,0,0|2,0,0]=4 376 B15R2.287 Cc1ccoc1CSC2CCC(=O)C2 Amb32987869 [0,1,0,1,0,0|1,0,0]=3 377 B15R2.1510 Cc1ccoc1CN2CCC(=O)CC2 Amb28138917 [0,1,0,1,0,0|2,0,0]=4 378 B15R2.7330 NC1CSC(c2cccs2)CNC1=O Amb27263724 [0,1,0,1,0,0|1,1,0]=4 379 B15R2.7330 N[C@@H]1CS[C@@H](c2cccs2)CNC1=O Amb19130482 [0,1,0,1,0,0|1,1,0]=4 380 B15R2.7330 N[C@@H]1CS[C@H](c2cccs2)CNC1=O Amb19130483 [0,1,0,1,0,0|1,1,0]=4 381 B15R2.7330 N[C@H]1CS[C@H](c2cccs2)CNC1=O Amb8629376 [0,1,0,1,0,0|1,1,0]=4 382 B15R2.19436 COC(=O)C1(N)CCCc2sccc21 Amb27600069 [0,1,0,1,0,0|1,1,0]=4 383 B11R1.172 C=C(C)CNCc1ccco1 Amb17308692 [1,0,0,0,1,0|2,0,0]=4 384 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [1,0,0,0,1,0|0,0,0]=2 385 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [1,0,0,0,1,0|0,1,0]=3 386 B11R1.172 CC(=O)CCCc1ccoc1 Amb28080133 [1,0,0,0,1,0|2,0,0]=4 387 B11R1.172 CC(=O)CCCc1ccsc1 Amb27492050 [1,0,0,0,1,0|2,0,0]=4 388 B11R1.172 CC(=O)CCCc1nccs1 Amb27492117 [1,0,0,0,1,0|1,1,0]=4 389 B11R1.172 CC(=O)CCCn1cccn1 Amb9659583 [1,0,0,0,1,0|2,0,0]=4 390 B11R1.172 CC(=O)CCSc1ccco1 Amb27672627 [1,0,0,0,1,0|0,0,0]=2 391 B11R1.172 CC(=O)CSCc1ccco1 Amb6357577 [1,0,0,0,1,0|0,0,0]=2 392 B11R1.172 CC(=O)CSCc1ccoc1 Amb27672517 [1,0,0,0,1,0|2,0,0]=4 393 B11R1.172 CC(=O)NCCc1ccco1 Amb8336373 [1,0,0,0,1,0|1,0,0]=3 394 B11R1.172 CC(=O)OCCc1ccco1 Amb27272289 [1,0,0,0,1,0|1,0,0]=3 395 B11R1.172 CC(=O)OCCc1cccs1 Amb24756179 [1,0,0,0,1,0|1,1,0]=4 396 B11R1.172 CC(=O)OCSc1cccs1 Amb27270358 [1,0,0,0,1,0|1,1,0]=4 397 B11R1.172 CC(C)=CCCc1ccco1 Amb35709490 [1,0,0,0,1,0|1,0,1]=4 398 B11R1.172 CC(N)CCCc1ccco1 Amb17232123 [1,0,0,0,1,0|1,0,1]=4 399 B11R1.172 CS(=O)CCSc1cccs1 Amb27272267 [1,0,0,0,1,0|1,1,0]=4 400 B11R1.172 C[C@@H](N)CSCc1ccco1 Amb28386913 [1,0,0,0,1,0|1,0,1]=4 401 B11R1.172 C[C@H](N)CSCc1ccco1 Amb28386912 [1,0,0,0,1,0|1,0,1]=4 402 B11R1.172 NC(=O)CCCc1cccs1 Amb8858354 [1,0,0,0,1,0|1,1,0]=4 403 B11R1.172 NC(=O)CNCc1ccco1 Amb1131866 [1,0,0,0,1,0|2,0,0]=4 404 B11R1.172 O=C(Cl)NCCc1ccco1 Amb35625501 [1,0,0,0,1,0|2,0,0]=4 405 B11R1.172 O=C(O)CC#Cc1ccco1 Amb25229145 [1,0,0,0,1,0|0,0,2]=4 406 B11R1.172 O=C(O)CCCc1ccco1 Amb18125675 [1,0,0,0,1,0|0,0,0]=2 407 B11R1.172 O=C(O)CCCc1cccs1 Amb1152340 [1,0,0,0,1,0|0,1,0]=3 408 B11R1.172 O=C(O)CCCc1ccno1 Amb18200545 [1,0,0,0,1,0|1,0,0]=3 409 B11R1.172 O=C(O)CCCc1ccoc1 Amb25385034 [1,0,0,0,1,0|2,0,0]=4 410 B11R1.172 O=C(O)CCCc1ccon1 Amb24062140 [1,0,0,0,1,0|2,0,0]=4 411 B11R1.172 O=C(O)CCCc1ccsc1 Amb22000608 [1,0,0,0,1,0|2,0,0]=4 412 B11R1.172 O=C(O)CCCc1ccsn1 Amb18198614 [1,0,0,0,1,0|2,0,0]=4 413 B11R1.172 O=C(O)CCCc1cnco1 Amb18200538 [1,0,0,0,1,0|1,0,0]=3 414 B11R1.172 O=C(O)CCCc1cncs1 Amb18198607 [1,0,0,0,1,0|1,1,0]=4 415 B11R1.172 O=C(O)CCCc1cocn1 Amb18200521 [1,0,0,0,1,0|2,0,0]=4 416 B11R1.172 O=C(O)CCCc1cscn1 Amb18062607 [1,0,0,0,1,0|2,0,0]=4 417 B11R1.172 O=C(O)CCCc1ncco1 Amb18559420 [1,0,0,0,1,0|1,0,0]=3 418 B11R1.172 O=C(O)CCCc1nccs1 Amb18198612 [1,0,0,0,1,0|1,1,0]=4 419 B11R1.172 O=C(O)CCCc1nnco1 Amb17138462 [1,0,0,0,1,0|2,0,0]=4 420 B11R1.172 O=C(O)CCCn1cccc1 Amb1130872 [1,0,0,0,1,0|2,0,0]=4 421 B11R1.172 O=C(O)CCCn1cccn1 Amb6251039 [1,0,0,0,1,0|2,0,0]=4 422 B11R1.172 O=C(O)CCSc1cccs1 Amb6717244 [1,0,0,0,1,0|0,1,0]=3 423 B11R1.172 O=C(O)CCSc1ccoc1 Amb27988487 [1,0,0,0,1,0|2,0,0]=4 424 B11R1.172 O=C(O)CCSc1nnco1 Amb17138715 [1,0,0,0,1,0|2,0,0]=4 425 B11R1.172 O=C(O)CNCc1ccco1 Amb2592332 [1,0,0,0,1,0|1,0,0]=3 426 B11R1.172 O=C(O)CNCc1cccs1 Amb8827556 [1,0,0,0,1,0|1,1,0]=4 427 B11R1.172 O=C(O)CNCc1ccno1 Amb9325921 [1,0,0,0,1,0|2,0,0]=4 428 B11R1.172 O=C(O)COCc1cccs1 Amb19015456 [1,0,0,0,1,0|0,2,0]=4 429 B11R1.172 O=C(O)CSCc1ccco1 Amb2721897 [1,0,0,0,1,0|0,0,0]=2 430 B11R1.172 O=C(O)CSCc1cccs1 Amb423757 [1,0,0,0,1,0|0,1,0]=3 431 B11R1.172 O=C(O)CSCc1ccsc1 Amb446162 [1,0,0,0,1,0|2,0,0]=4 432 B11R1.172 O=C(O)CSCc1cscn1 Amb33528427 [1,0,0,0,1,0|2,0,0]=4 433 B11R1.172 O=C(O)CSCc1cscn1 Amb33550256 [1,0,0,0,1,0|2,0,0]=4 434 B11R1.172 O=C(O)CSCc1nccs1 Amb27266651 [1,0,0,0,1,0|1,1,0]=4 435 B11R1.172 O=C(O)\C=C\Cc1ccco1 Amb25060755 [1,0,0,0,1,0|0,0,2]=4 436 B11R1.172 O=C([O-])CCCc1cccs1 Amb33513078 [1,0,0,0,1,0|0,1,1]=4 437 B11R1.172 O=C([O-])COCc1ccco1 Amb10610157 [1,0,0,0,1,0|0,1,1]=4 438 B11R1.172 O=[N+]([O-])CSCc1ccco1 Amb27988716 [1,0,0,0,1,0|1,0,1]=4 439 B11R1.25 C=CC(=O)CCc1ccco1 Amb27988543 [0,0,0,0,2,0|1,0,1]=4 440 B11R1.25 CCC(=O)CCc1ccco1 Amb18177203 [0,0,0,0,2,0|1,0,0]=3 441 B11R1.25 CCC(=O)CSc1cccs1 Amb19075945 [0,0,0,0,2,0|1,1,0]=4 442 B11R1.25 CCC(=O)NCc1ccco1 Amb3097296 [0,0,0,0,2,0|2,0,0]=4 443 B11R1.25 CCC(=O)SCc1ccco1 Amb9786684 [0,0,0,0,2,0|1,0,0]=3 444 B11R1.25 CNC(=O)CCc1ccco1 Amb8328018 [0,0,0,0,2,0|1,0,0]=3 445 B11R1.25 CNC(=O)CCc1cccs1 Amb27464851 [0,0,0,0,2,0|1,1,0]=4 446 B11R1.25 CNC(=O)CSc1ncco1 Amb28249463 [0,0,0,0,2,0|2,0,0]=4 447 B11R1.25 COC(=N)CCc1ccco1 Amb18065394 [0,0,0,0,2,0|1,0,0]=3 448 B11R1.25 COC(=N)CCc1cccs1 Amb18563908 [0,0,0,0,2,0|1,1,0]=4 449 B11R1.25 COC(=O)C#Cc1ccco1 Amb27855944 [0,0,0,0,2,0|0,0,2]=4 450 B11R1.25 COC(=O)CCc1ccno1 Amb24762935 [0,0,0,0,2,0|1,0,0]=3 451 B11R1.25 COC(=O)CCc1ccoc1 Amb27272302 [0,0,0,0,2,0|2,0,0]=4 452 B11R1.25 COC(=O)CCc1ccsc1 Amb27491907 [0,0,0,0,2,0|2,0,0]=4 453 B11R1.25 COC(=O)CCc1cncs1 Amb28387274 [0,0,0,0,2,0|1,1,0]=4 454 B11R1.25 COC(=O)CCc1nccs1 Amb17334847 [0,0,0,0,2,0|1,1,0]=4 455 B11R1.25 COC(=O)CCn1cccc1 Amb18799453 [0,0,0,0,2,0|2,0,0]=4 456 B11R1.25 COC(=O)CCn1cccn1 Amb535322 [0,0,0,0,2,0|2,0,0]=4 457 B11R1.25 COC(=O)CSc1nnco1 Amb28388103 [0,0,0,0,2,0|2,0,0]=4 458 B11R1.25 COC(=O)NCc1ccco1 Amb3363702 [0,0,0,0,2,0|1,0,0]=3 459 B11R1.25 COC(=O)\C=C\c1ccco1 Amb26473604 [0,0,0,0,2,0|0,0,2]=4 460 B11R1.25 COC(=S)SCc1cccs1 Amb27987389 [0,0,0,0,2,0|0,2,0]=4 461 B11R1.25 COC(=S)SCc1ccno1 Amb27987391 [0,0,0,0,2,0|1,1,0]=4 462 B11R1.25 NNC(=O)CCc1ccco1 Amb6744507 [0,0,0,0,2,0|2,0,0]=4 463 B11R1.25 O=C(CCl)CCc1ccco1 Amb27672907 [0,0,0,0,2,0|2,0,0]=4 464 B11R1.25 O=C(CO)CCc1ccco1 Amb18065408 [0,0,0,0,2,0|2,0,0]=4 465 B13R1.337 CC(=O)CCCCc1ccccc1 Amb8392140 [1,0,0,0,0,1|2,0,0]=4 466 B13R1.337 CC(=O)CCNCc1ccccc1 Amb23399608 [1,0,0,0,0,1|2,0,0]=4 467 B13R1.337 CC(=O)CCNCc1ccccc1 Amb8388282 [1,0,0,0,0,1|2,0,0]=4 468 B13R1.337 CC(=O)CCOCc1ccccc1 Amb16233219 [1,0,0,0,0,1|1,1,0]=4 469 B13R1.337 CC(=O)CCSCc1ccccc1 Amb9224165 [1,0,0,0,0,1|1,0,0]=3 470 B13R1.337 O=C(O)CCCCc1ccccc1 Amb3940028 [1,0,0,0,0,1|2,0,0]=4 471 B13R1.337 O=C(O)CCCCc1cccnc1 Amb18128434 [1,0,0,0,0,1|2,0,0]=4 472 B13R1.337 O=C(O)CCNCc1ccccc1 Amb1207218 [1,0,0,0,0,1|2,0,0]=4 473 B13R1.337 O=C(O)CCNCc1ccccc1 Amb6892614 [1,0,0,0,0,1|2,0,0]=4 474 B13R1.337 O=C(O)CCNCc1ccccn1 Amb10187384 [1,0,0,0,0,1|2,0,0]=4 475 B13R1.337 O=C(O)CCNCc1ccccn1 Amb1111102 [1,0,0,0,0,1|2,0,0]=4 476 B13R1.337 O=C(O)CCNCc1cccnc1 Amb1110655 [1,0,0,0,0,1|2,0,0]=4 477 B13R1.337 O=C(O)CCNCc1cccnc1 Amb19373040 [1,0,0,0,0,1|2,0,0]=4 478 B13R1.337 O=C(O)CCNCc1ccncc1 Amb10187385 [1,0,0,0,0,1|2,0,0]=4 479 B13R1.337 O=C(O)CCNCc1ccncc1 Amb1109839 [1,0,0,0,0,1|2,0,0]=4 480 B13R1.337 O=C(O)CCOCc1ccccc1 Amb6281734 [1,0,0,0,0,1|1,1,0]=4 481 B13R1.337 O=C(O)CCSCc1ccccc1 Amb1132307 [1,0,0,0,0,1|1,0,0]=3 482 B13R1.337 O=C(O)CCSCc1ccccn1 Amb6268444 [1,0,0,0,0,1|1,0,0]=3 483 B13R1.337 O=C(O)CCSSc1ccccn1 Amb17619705 [1,0,0,0,0,1|2,0,0]=4 484 B15R1.962 CCC(=O)CCCSCc1ccccc1 Amb32682994 [0,0,0,0,0,2|2,0,0]=4 485 B15R1.962 COC(=O)CCCNCc1ccccc1 Amb33549509 [0,0,0,0,0,2|2,0,0]=4 486 B15R1.962 COC(=O)CCCNCc1ccccc1 Amb8951848 [0,0,0,0,0,2|2,0,0]=4 487 B15R1.962 COC(=O)CCCOCc1ccccc1 Amb8961276 [0,0,0,0,0,2|1,1,0]=4 488 B15R1.962 COC(=O)CCNOCc1ccccc1 Amb28118387 [0,0,0,0,0,2|1,1,0]=4