0 B13R2.292 CCCC1CNCc2ccsc21 Amb25045450 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.292 CCCC1NCCc2ccoc21 Amb32647841 [0,0,0,0,0,0|2,1,0]=3 2 B13R2.292 CCCC1NCCc2ccsc21 Amb25699946 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.292 CCCC1NCCc2occc21 Amb27239837 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.292 CCCC1NCCc2sccc21 Amb17233858 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.292 CCCC1NCCn2cccc21 Amb2721868 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.292 CCCC1NCCn2ccnc21 Amb26883677 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.292 CCC[C@@H]1NCCn2cccc21 Amb27403464 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.292 CCC[C@H]1NCCn2cccc21 Amb27635796 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.292 CCNC1CCCc2ncsc21 Amb18284468 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.292 CNCC1CCCc2ccoc21 Amb27638495 [0,0,0,0,0,0|1,1,0]=2 11 B13R2.292 CNCC1CCCc2conc21 Amb27625169 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.292 CNCC1CCCc2ncoc21 Amb27669972 [0,0,0,0,0,0|2,1,0]=3 13 B13R2.292 CNCC1CCCc2ocnc21 Amb27625167 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.292 CNCC1CCCn2cncc21 Amb25942817 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.292 CNCC1CCCn2cnnc21 Amb28129925 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.292 CNCC1OCCc2ccsc21 Amb27777370 [0,0,0,0,0,0|0,0,0]=0 17 B13R2.292 CNCC1OCCc2sccc21 Amb25773556 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.292 CNC[C@@H]1CCCc2sccc21 Amb27777316 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.292 CNCc1cccc2ccsc12 Amb1995225 [0,0,0,0,0,0|1,0,3]=4 20 B13R2.292 CNCc1nccc2ccsc12 Amb27948721 [0,0,0,0,0,0|1,0,3]=4 21 B13R2.292 COCC1NCCc2ccoc21 Amb32647660 [0,0,0,0,0,0|2,1,0]=3 22 B13R2.292 COCC1NCCc2ccsc21 Amb25707376 [0,0,0,0,0,0|2,0,0]=2 23 B13R2.292 COCC1NCCc2occc21 Amb29852940 [0,0,0,0,0,0|4,0,0]=4 24 B13R2.292 COCC1NCCc2sccc21 Amb23512800 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.292 OCCC1NCCc2ccsc21 Amb32946711 [0,0,0,0,0,0|3,0,0]=3 26 B13R2.292 OCCC1OCCc2sccc21 Amb28280528 [0,0,0,0,0,0|4,0,0]=4 27 B12R2.315 CCC1CCCc2scnc21 Amb27758947 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.315 CCC1CNCc2ccsc21 Amb26878119 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.315 CCC1NCCc2ccoc21 Amb32647803 [1,0,0,0,0,0|1,1,0]=3 30 B12R2.315 CCC1NCCc2ccsc21 Amb25281361 [1,0,0,0,0,0|1,0,0]=2 31 B12R2.315 CCC1NCCc2occc21 Amb32647471 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.315 CCC1NCCc2sccc21 Amb52093 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.315 CCC1NCCc2sccc21 Amb9703887 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.315 CCC1NCCn2cccc21 Amb13948970 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.315 CCC1NCCn2cccc21 Amb3941173 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.315 CCC1NCCn2ccnc21 Amb25780949 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.315 CCC1OCCn2cccc21 Amb27945400 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.315 CNC1CCCc2cnoc21 Amb27795161 [1,0,0,0,0,0|2,1,0]=4 39 B12R2.315 CNC1CCCc2conc21 Amb27441529 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.315 CNC1CCCc2nnsc21 Amb27246850 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.315 CNC1CCCc2occc21 Amb27839752 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.315 COC1OCCc2occc21 Amb27823280 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.315 NCC1CCCc2cnoc21 Amb18201342 [1,0,0,0,0,0|2,1,0]=4 44 B12R2.315 NCC1CCCc2cnsc21 Amb18199189 [1,0,0,0,0,0|2,0,0]=3 45 B12R2.315 NCC1CCCc2cocc21 Amb27419823 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.315 NCC1CCCc2nnsc21 Amb27623705 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.315 NCC1CCCc2sccc21 Amb18948477 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.315 NCC1CCCn2cccc21 Amb25144105 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.315 NCC1CCCn2ccnc21 Amb25923256 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.315 NCC1OCCc2ccsc21 Amb20667880 [1,0,0,0,0,0|0,0,0]=1 51 B12R2.315 NCC1OCCc2ccsc21 Amb33482903 [1,0,0,0,0,0|0,0,0]=1 52 B12R2.315 NCC1OCCc2sccc21 Amb2724104 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.315 NCC1OCCc2sccc21 Amb32683433 [1,0,0,0,0,0|2,0,0]=3 54 B12R2.315 NC[C@@H]1OCCc2ccsc21 Amb27976114 [1,0,0,0,0,0|0,0,0]=1 55 B12R2.315 NC[C@H]1OCCc2ccsc21 Amb28055840 [1,0,0,0,0,0|0,0,0]=1 56 B12R2.315 O=CC1CCCc2ccsc21 Amb27164594 [1,0,0,0,0,0|2,0,1]=4 57 B12R2.315 OCC1NCCc2ccoc21 Amb32647796 [1,0,0,0,0,0|2,1,0]=4 58 B12R2.315 OCC1NCCc2ccsc21 Amb32646939 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.315 OC[C@H]1CCCc2ccoc21 Amb27981807 [1,0,0,0,0,0|2,1,0]=4 60 B14R2.535 CNCC1CCCc2sc(C)nc21 Amb18130347 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.535 CNCC1CCCc2sc(N)nc21 Amb27948441 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.536 CNCC1CCCc2ncn(C)c21 Amb27840958 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.892 CCCCC1CNCc2ccsc21 Amb25683932 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.892 CCCCC1NCCc2ccoc21 Amb32647806 [0,1,0,0,0,0|2,1,0]=4 65 B14R2.892 CCCCC1NCCc2ccsc21 Amb32646944 [0,1,0,0,0,0|2,0,0]=3 66 B14R2.892 CCCNC1CCCc2ncsc21 Amb18985614 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.892 CCNCC1CCCc2sccc21 Amb27258658 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.892 CCNCC1OCCc2sccc21 Amb25075138 [0,1,0,0,0,0|2,0,0]=3 69 B14R2.892 CSCCC1NCCc2ccoc21 Amb32647835 [0,1,0,0,0,0|2,1,0]=4 70 B14R2.892 CSCCC1NCCc2ccsc21 Amb32646963 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.892 [N-]=[N+]=NCC1NCCc2ccsc21 Amb32647055 [0,1,0,0,0,0|2,0,1]=4 72 B14R2.6188 CN1CCc2ccsc2C1CCN Amb18188720 [0,1,0,0,0,0|3,0,0]=4 73 B14R2.9440 CC(C)CC1CNCc2ccsc21 Amb27448113 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.9440 CC(C)CC1NCCc2ccoc21 Amb32647811 [0,1,0,0,0,0|2,1,0]=4 75 B14R2.9440 CC(C)CC1NCCc2ccsc21 Amb26058071 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.9440 CN(C)CC1NCCc2ccsc21 Amb27610089 [0,1,0,0,0,0|1,0,0]=2 77 B14R2.9440 CN(C)CC1NCCc2occc21 Amb27409136 [0,1,0,0,0,0|3,0,0]=4 78 B14R2.9440 NC(=O)CC1NCCc2ccsc21 Amb32647047 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.9440 NC(=O)CC1OCCc2ccsc21 Amb28182813 [0,1,0,0,0,0|2,0,0]=3 80 B14R2.9440 O=C(O)CC1NCCc2ccsc21 Amb18188475 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.9440 O=C(O)CC1OCCc2ccsc21 Amb19319458 [0,1,0,0,0,0|2,0,0]=3 82 B14R2.9756 CC1(CCO)OCCc2ccsc21 Amb28292207 [0,1,0,0,0,0|2,0,0]=3 83 B14R2.9756 CCCC1(C)CNCc2ccsc21 Amb26861510 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.9756 CCCC1(C)NCCc2ccoc21 Amb32647854 [0,1,0,0,0,0|2,1,0]=4 85 B14R2.9756 CCCC1(C)NCCc2ccsc21 Amb32646979 [0,1,0,0,0,0|2,0,0]=3 86 B14R2.9756 COCC1(C)NCCc2ccoc21 Amb32647887 [0,1,0,0,0,0|2,1,0]=4 87 B14R2.9756 COCC1(C)NCCc2ccsc21 Amb32647012 [0,1,0,0,0,0|2,0,0]=3 88 B14R2.10782 CCC(C)C1NCCc2ccoc21 Amb32647859 [0,1,0,0,0,0|2,1,0]=4 89 B14R2.10782 COC(=O)C1CCCc2ccsc21 Amb26853704 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.10782 COC(=O)C1NCCc2ccsc21 Amb32675363 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.10782 COC(C)C1NCCc2ccoc21 Amb32647779 [0,1,0,0,0,0|2,1,0]=4 92 B14R2.10782 COC(C)C1NCCc2ccsc21 Amb32646920 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.37 CCCCCCCc1ccsc1 Amb8515180 [0,0,1,0,0,0|2,0,0]=3 94 B12R1.37 CCCCCNCc1ccsc1 Amb5262475 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.37 COCCCNCc1ccsc1 Amb6730184 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.37 NCCCCCCc1ccsc1 Amb33320899 [0,0,1,0,0,0|3,0,0]=4 97 B12R1.37 NCCCOCCc1ccsc1 Amb32953622 [0,0,1,0,0,0|2,0,0]=3 98 B12R1.37 O=CCCCCCc1ccsc1 Amb33320896 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.293 CCCC(NCC)c1nccs1 Amb19045573 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.293 CCNC(COC)c1nccs1 Amb19649397 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.293 CCOC(OCC)c1ccco1 Amb8513839 [0,0,1,0,0,0|2,1,0]=4 102 B12R1.293 CCOC(OCC)c1cccs1 Amb10067514 [0,0,1,0,0,0|2,0,0]=3 103 B12R1.293 CCOC(OCC)c1ccns1 Amb32431069 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.316 C#CCC(O)c1sccc1CC Amb27661498 [0,0,1,0,0,0|1,0,1]=3 105 B12R1.316 C#CCC(O)c1sccc1OC Amb27827699 [0,0,1,0,0,0|2,0,1]=4 106 B12R1.316 CCc1ccsc1C(=O)CNC Amb18823147 [0,0,1,0,0,0|0,0,2]=3 107 B12R1.316 CCc1ccsc1C(C)CCN Amb32729312 [0,0,1,0,0,0|3,0,0]=4 108 B12R1.316 CCc1ccsc1C(C)CON Amb32729172 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.316 CCc1ccsc1C(F)CCN Amb32729177 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.316 CCc1ccsc1C(N)CCO Amb32729509 [0,0,1,0,0,0|3,0,0]=4 111 B12R1.316 CCc1ccsc1C(O)CC#N Amb32729097 [0,0,1,0,0,0|2,0,0]=3 112 B12R1.316 CCc1ccsc1C(O)CCN Amb33361632 [0,0,1,0,0,0|2,0,0]=3 113 B12R1.316 CCc1ccsc1C(O)CNC Amb18822339 [0,0,1,0,0,0|0,0,0]=1 114 B12R1.316 CCc1ccsc1[C@@H](O)CCN Amb32729164 [0,0,1,0,0,0|2,0,0]=3 115 B12R1.316 CCc1ccsc1[C@H](O)CCN Amb32729179 [0,0,1,0,0,0|2,0,0]=3 116 B12R1.316 CCn1ccnc1C(O)CNC Amb33449091 [0,0,1,0,0,0|2,0,0]=3 117 B12R1.316 CCn1cncc1C(O)CNC Amb33080145 [0,0,1,0,0,0|3,0,0]=4 118 B12R1.316 CCn1nccc1C(O)CNC Amb32708815 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.316 CCn1ncnc1C(O)CNC Amb33450061 [0,0,1,0,0,0|3,0,0]=4 120 B12R1.320 CNCCc1occc1COC Amb33423739 [0,0,1,0,0,0|2,1,0]=4 121 B14R3.164 c1cn2c3c1CNCC3CCC2 Amb18829569 [0,0,0,1,0,0|3,0,0]=4 122 B14R3.164 c1nc2c3n1CCOC3CNC2 Amb27470816 [0,0,0,1,0,0|3,0,0]=4 123 B14R3.2484 C1NCC2CC1Cc3nnsc32 Amb28140859 [0,0,0,1,0,0|3,0,0]=4 124 B14R3.3044 c1cc2c(o1)C(C3CC3)NCC2 Amb27971077 [0,0,0,1,0,0|2,1,0]=4 125 B14R3.4146 c1cc2c(o1)C3(CCC3)NCC2 Amb29876030 [0,0,0,1,0,0|2,1,0]=4 126 B14R3.4146 c1cc2c(o1)C3(COC3)NCC2 Amb32647901 [0,0,0,1,0,0|2,1,0]=4 127 B14R3.4146 c1cc2c(o1)C3(CSC3)NCC2 Amb32647711 [0,0,0,1,0,0|2,1,0]=4 128 B14R3.4146 c1cc2c(s1)C3(CCC3)NCC2 Amb32646985 [0,0,0,1,0,0|2,0,0]=3 129 B14R3.4146 c1cc2c(s1)C3(COC3)NCC2 Amb32647025 [0,0,0,1,0,0|2,0,0]=3 130 B14R3.4146 c1cc2c(s1)C3(CSC3)NCC2 Amb32646849 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.144 CCNC1CCc2ccsc21 Amb27650029 [0,0,0,0,1,0|2,0,0]=3 132 B12R2.144 CNCC1CCc2ccoc21 Amb27419822 [0,0,0,0,1,0|0,1,0]=2 133 B12R2.144 CNCC1CCc2occc21 Amb27963175 [0,0,0,0,1,0|2,0,0]=3 134 B12R2.144 CNCC1CCc2snnc21 Amb27441992 [0,0,0,0,1,0|3,0,0]=4 135 B12R2.144 NCCC1CCc2ccsc21 Amb28323538 [0,0,0,0,1,0|2,0,0]=3 136 B14R2.3106 FCCC1CCNCc2ccsc21 Amb28042415 [0,0,0,0,0,1|3,0,0]=4 137 B14R2.7150 CCCC1NCCc2ccccc21 Amb18961209 [0,0,0,0,0,1|3,0,0]=4 138 B14R2.7150 CCCC1NCCc2ccccc21 Amb33330006 [0,0,0,0,0,1|3,0,0]=4 139 B14R2.7150 CCOC1OCCc2ccccc21 Amb27809060 [0,0,0,0,0,1|3,0,0]=4 140 B14R2.7150 CNCC1CCCc2ccccc21 Amb9513978 [0,0,0,0,0,1|2,0,0]=3 141 B14R2.7150 CNCC1CCOc2ccccc21 Amb28368905 [0,0,0,0,0,1|3,0,0]=4 142 B14R2.7150 CNCC1COCc2ccccc21 Amb27952698 [0,0,0,0,0,1|3,0,0]=4 143 B14R2.7150 CNCC1NCCc2ccccc21 Amb18956501 [0,0,0,0,0,1|2,0,0]=3 144 B14R2.7150 CNCC1OCCc2ccccc21 Amb33528353 [0,0,0,0,0,1|1,0,0]=2 145 B14R2.7150 CNCC1OCCc2ccccc21 Amb4422666 [0,0,0,0,0,1|1,0,0]=2 146 B14R2.7150 COCC1NCCc2ccccc21 Amb29848144 [0,0,0,0,0,1|3,0,0]=4 147 B14R2.7150 N#CCC1OCCc2ccccc21 Amb24469848 [0,0,0,0,0,1|3,0,0]=4 148 B14R2.7150 NCCC1OCCc2ccccc21 Amb22642244 [0,0,0,0,0,1|3,0,0]=4 149 B14R2.7150 NNCC1CCCc2ccccc21 Amb18804591 [0,0,0,0,0,1|3,0,0]=4 150 B14R2.7150 NNCC1OCCc2ccccc21 Amb27483940 [0,0,0,0,0,1|2,0,0]=3 151 B14R2.7150 OCC[C@@H]1OCCc2ccccc21 Amb22757041 [0,0,0,0,0,1|3,0,0]=4 152 B14R2.7150 OCC[C@H]1OCCc2ccccc21 Amb27752370 [0,0,0,0,0,1|3,0,0]=4 153 B14R2.7150 ONCC1CCCc2ccccc21 Amb33375765 [0,0,0,0,0,1|3,0,0]=4 154 B11R1.4 BrCCCCCc1ccsc1 Amb33009453 [1,0,1,0,0,0|2,0,0]=4 155 B11R1.4 C#CCCCCc1ccsc1 Amb33320901 [1,0,1,0,0,0|1,0,1]=4 156 B11R1.4 CCCCCCc1ccsc1 Amb2696630 [1,0,1,0,0,0|1,0,0]=3 157 B11R1.4 CCCCNCc1ccsc1 Amb5262468 [1,0,1,0,0,0|2,0,0]=4 158 B11R1.4 CCCCNCc1ccsc1 Amb6868332 [1,0,1,0,0,0|2,0,0]=4 159 B11R1.4 CNCCC#Cc1ccsc1 Amb35738499 [1,0,1,0,0,0|0,0,2]=4 160 B11R1.4 CNCCCCc1ccsc1 Amb33449244 [1,0,1,0,0,0|0,0,0]=2 161 B11R1.4 CNCC\C=C\c1ccsc1 Amb27987211 [1,0,1,0,0,0|0,0,2]=4 162 B11R1.4 COCCCNc1ccsc1 Amb27271393 [1,0,1,0,0,0|2,0,0]=4 163 B11R1.4 COCCNCc1ccsc1 Amb2592471 [1,0,1,0,0,0|2,0,0]=4 164 B11R1.4 COCCNCc1ccsc1 Amb6868352 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.4 CSCCCNc1ccsc1 Amb27271390 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.4 N#CCCCCc1ccsc1 Amb33322016 [1,0,1,0,0,0|2,0,0]=4 167 B11R1.4 NCCCCCc1ccsc1 Amb33079652 [1,0,1,0,0,0|1,0,0]=3 168 B11R1.4 NCCOCCc1ccsc1 Amb33448656 [1,0,1,0,0,0|0,0,0]=2 169 B11R1.4 NCC\C=C\Cc1ccsc1 Amb27987202 [1,0,1,0,0,0|1,0,1]=4 170 B11R1.4 NC\C=C\CCc1ccsc1 Amb33321200 [1,0,1,0,0,0|1,0,1]=4 171 B11R1.4 NOCCCCc1ccsc1 Amb33321650 [1,0,1,0,0,0|2,0,0]=4 172 B11R1.4 O=CCCCCc1ccsc1 Amb33449957 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.4 OCCCCCc1ccsc1 Amb32954776 [1,0,1,0,0,0|2,0,0]=4 174 B11R1.4 SCCCCCc1ccsc1 Amb33484588 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.4 [C-]#[N+]CCCCc1ccsc1 Amb33321990 [1,0,1,0,0,0|0,0,2]=4 176 B11R1.2 C#CCC(CC)c1cccs1 Amb28284728 [1,0,1,0,0,0|1,0,1]=4 177 B11R1.2 CCC(CCN)c1cccs1 Amb5739025 [1,0,1,0,0,0|2,0,0]=4 178 B11R1.2 CCC(CCO)c1cccs1 Amb17232755 [1,0,1,0,0,0|2,0,0]=4 179 B11R1.2 CCC(CNC)c1cccs1 Amb17232726 [1,0,1,0,0,0|0,0,0]=2 180 B11R1.2 CCC(CNC)c1cnco1 Amb33295071 [1,0,1,0,0,0|1,1,0]=4 181 B11R1.2 CCCC(CBr)c1cccs1 Amb17250571 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.2 CCCC(CCl)c1cccs1 Amb17234618 [1,0,1,0,0,0|2,0,0]=4 183 B11R1.2 CCCC(CN)c1cccs1 Amb17232728 [1,0,1,0,0,0|1,0,0]=3 184 B11R1.2 CCCC(CO)c1cccs1 Amb17232754 [1,0,1,0,0,0|2,0,0]=4 185 B11R1.2 CCCC(NC)c1ccco1 Amb19033674 [1,0,1,0,0,0|1,1,0]=4 186 B11R1.2 CCCC(NC)c1ccns1 Amb27671898 [1,0,1,0,0,0|2,0,0]=4 187 B11R1.2 CCCC(NC)c1nccs1 Amb18306659 [1,0,1,0,0,0|2,0,0]=4 188 B11R1.2 CCCC(NN)c1cccs1 Amb27272439 [1,0,1,0,0,0|2,0,0]=4 189 B11R1.2 CCNC(CC)c1cccs1 Amb6719195 [1,0,1,0,0,0|1,0,0]=3 190 B11R1.2 CCNC(CC)c1ccns1 Amb27671901 [1,0,1,0,0,0|2,0,0]=4 191 B11R1.2 CCNC(CC)c1nccs1 Amb2592499 [1,0,1,0,0,0|2,0,0]=4 192 B11R1.2 CCNC(CF)c1cccs1 Amb27674431 [1,0,1,0,0,0|2,0,0]=4 193 B11R1.2 CCNC(CN)c1ccco1 Amb18799532 [1,0,1,0,0,0|1,1,0]=4 194 B11R1.2 CCNC(CN)c1cccs1 Amb18185658 [1,0,1,0,0,0|1,0,0]=3 195 B11R1.2 CCOC(C=O)c1cccs1 Amb27674237 [1,0,1,0,0,0|1,0,1]=4 196 B11R1.2 CCOC(CN)c1cccs1 Amb18308169 [1,0,1,0,0,0|0,0,0]=2 197 B11R1.2 CCOC(CN)c1ccns1 Amb33034862 [1,0,1,0,0,0|1,0,0]=3 198 B11R1.2 CCOC(CN)c1ccsc1 Amb18308253 [1,0,1,0,0,0|2,0,0]=4 199 B11R1.2 CCOC(CN)c1cncs1 Amb27492341 [1,0,1,0,0,0|1,0,0]=3 200 B11R1.2 CCOC(CN)c1cscn1 Amb24756170 [1,0,1,0,0,0|2,0,0]=4 201 B11R1.2 CCOC(CN)c1nccs1 Amb27492342 [1,0,1,0,0,0|1,0,0]=3 202 B11R1.2 CCOC(CO)c1ccco1 Amb27269854 [1,0,1,0,0,0|1,1,0]=4 203 B11R1.2 CCSC(CN)c1cccs1 Amb19020007 [1,0,1,0,0,0|0,1,0]=3 204 B11R1.2 CC\C(=N\NC)c1cccs1 Amb27605073 [1,0,1,0,0,0|1,0,1]=4 205 B11R1.2 CNC(CCO)c1cccs1 Amb18065482 [1,0,1,0,0,0|2,0,0]=4 206 B11R1.2 CNCC(OC)c1cccs1 Amb18563964 [1,0,1,0,0,0|0,0,0]=2 207 B11R1.2 CNCC(OC)c1ccsc1 Amb27673236 [1,0,1,0,0,0|2,0,0]=4 208 B11R1.2 CNCC(OC)c1cncs1 Amb27674292 [1,0,1,0,0,0|1,0,0]=3 209 B11R1.2 CNCC(OC)c1cscn1 Amb27674294 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.2 CNCC(OC)c1nccs1 Amb27674291 [1,0,1,0,0,0|1,0,0]=3 211 B11R1.2 COC(CCN)c1cccs1 Amb17334870 [1,0,1,0,0,0|2,0,0]=4 212 B11R1.2 NCC(CCO)c1cccs1 Amb17232840 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.2 NCCC(CN)c1cccs1 Amb17232757 [1,0,1,0,0,0|2,0,0]=4 214 B11R1.168 CCC(NC)c1occc1C Amb27466610 [1,0,1,0,0,0|1,1,0]=4 215 B11R1.168 COC(CN)c1ccsc1C Amb25095498 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.168 COC(CN)c1sccc1Br Amb27945662 [1,0,1,0,0,0|1,0,0]=3 217 B11R1.168 COC(CN)c1sccc1C Amb18980305 [1,0,1,0,0,0|0,0,0]=2 218 B11R1.168 COC(CN)c1scnc1C Amb33035141 [1,0,1,0,0,0|1,0,0]=3 219 B11R1.168 COC(CN)c1scnc1Cl Amb33034867 [1,0,1,0,0,0|2,0,0]=4 220 B11R1.168 COC(CN)c1sncc1Br Amb33034775 [1,0,1,0,0,0|2,0,0]=4 221 B11R1.168 COC(CN)c1snnc1C Amb26894095 [1,0,1,0,0,0|2,0,0]=4 222 B11R1.168 COC(OC)c1sccc1Br Amb27486277 [1,0,1,0,0,0|2,0,0]=4 223 B11R1.168 Cc1ccsc1C(CN)CO Amb33203308 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.199 C#CCC(C)c1sccc1C Amb27603434 [1,0,1,0,0,0|1,0,1]=4 225 B11R1.199 C=CCC(C)c1sccc1C Amb27169944 [1,0,1,0,0,0|1,0,1]=4 226 B11R1.199 CC#CC(O)c1sccc1C Amb28385710 [1,0,1,0,0,0|1,0,1]=4 227 B11R1.199 CCCC(Cl)c1sccc1C Amb27262009 [1,0,1,0,0,0|2,0,0]=4 228 B11R1.199 CCCC(N)c1sccc1C Amb18979695 [1,0,1,0,0,0|2,0,0]=4 229 B11R1.199 CCCC(N)c1sccc1C Amb35745605 [1,0,1,0,0,0|2,0,0]=4 230 B11R1.199 CCCC(O)c1sccc1C Amb18180287 [1,0,1,0,0,0|1,0,0]=3 231 B11R1.199 CCCC(O)c1sccc1I Amb27265112 [1,0,1,0,0,0|2,0,0]=4 232 B11R1.199 CCCC(O)c1scnc1C Amb27950830 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.199 CCC[C@@H](N)c1sccc1C Amb27413066 [1,0,1,0,0,0|2,0,0]=4 234 B11R1.199 CCC[C@H](N)c1sccc1C Amb28046866 [1,0,1,0,0,0|2,0,0]=4 235 B11R1.199 CCC[C@H](O)c1sccc1C Amb27965190 [1,0,1,0,0,0|1,0,0]=3 236 B11R1.199 CNCC(=O)c1sccc1C Amb18199042 [1,0,1,0,0,0|0,0,2]=4 237 B11R1.199 CNCC(O)c1cccn1C Amb26317821 [1,0,1,0,0,0|2,0,0]=4 238 B11R1.199 CNCC(O)c1ccoc1C Amb33473296 [1,0,1,0,0,0|2,0,0]=4 239 B11R1.199 CNCC(O)c1ccsc1C Amb27826777 [1,0,1,0,0,0|2,0,0]=4 240 B11R1.199 CNCC(O)c1cscc1C Amb33147696 [1,0,1,0,0,0|2,0,0]=4 241 B11R1.199 CNCC(O)c1nccn1C Amb25890798 [1,0,1,0,0,0|2,0,0]=4 242 B11R1.199 CNCC(O)c1occc1C Amb33343969 [1,0,1,0,0,0|0,1,0]=3 243 B11R1.199 CNCC(O)c1sccc1Br Amb26013039 [1,0,1,0,0,0|1,0,0]=3 244 B11R1.199 CNCC(O)c1sccc1C Amb18301176 [1,0,1,0,0,0|0,0,0]=2 245 B11R1.199 CNCC(O)c1sccc1Cl Amb27475562 [1,0,1,0,0,0|1,0,0]=3 246 B11R1.199 CNCC(O)c1scnc1C Amb18198178 [1,0,1,0,0,0|1,0,0]=3 247 B11R1.199 COCC(O)c1scnc1C Amb27989219 [1,0,1,0,0,0|2,0,0]=4 248 B11R1.199 CONC(C)c1sccc1C Amb28325018 [1,0,1,0,0,0|2,0,0]=4 249 B11R1.199 CSCC(N)c1sccc1C Amb28187971 [1,0,1,0,0,0|2,0,0]=4 250 B11R1.199 CSCC(O)c1scnc1C Amb35612916 [1,0,1,0,0,0|2,0,0]=4 251 B11R1.199 Cc1ccsc1C(C)CCCl Amb27168726 [1,0,1,0,0,0|2,0,0]=4 252 B11R1.199 Cc1ccsc1C(C)CCN Amb26372371 [1,0,1,0,0,0|2,0,0]=4 253 B11R1.199 Cc1ccsc1C(C)CCS Amb27853116 [1,0,1,0,0,0|2,0,0]=4 254 B11R1.199 Cc1ccsc1C(C)CON Amb33202976 [1,0,1,0,0,0|2,0,0]=4 255 B11R1.199 Cc1ccsc1C(O)CC#N Amb25149160 [1,0,1,0,0,0|2,0,0]=4 256 B11R1.199 Cc1ccsc1C(O)CCN Amb18252169 [1,0,1,0,0,0|2,0,0]=4 257 B11R1.199 Cc1ccsc1C(O)CCO Amb22268369 [1,0,1,0,0,0|2,0,0]=4 258 B11R1.199 Cc1ccsc1[C@@H](O)CCN Amb33202986 [1,0,1,0,0,0|2,0,0]=4 259 B11R1.199 Cc1ccsc1[C@H](O)CCN Amb33226393 [1,0,1,0,0,0|2,0,0]=4 260 B11R1.18 C#CCCc1sccc1CC Amb32729042 [1,0,1,0,0,0|1,0,1]=4 261 B11R1.18 CCc1ccsc1CCC#N Amb32729300 [1,0,1,0,0,0|2,0,0]=4 262 B11R1.18 CCc1ccsc1CCC=O Amb32729037 [1,0,1,0,0,0|2,0,0]=4 263 B11R1.18 CCc1ccsc1CCCBr Amb33009177 [1,0,1,0,0,0|2,0,0]=4 264 B11R1.18 CCc1ccsc1CCCN Amb32729314 [1,0,1,0,0,0|2,0,0]=4 265 B11R1.18 CCc1ccsc1CCCO Amb32729033 [1,0,1,0,0,0|2,0,0]=4 266 B11R1.18 CCc1ccsc1CCCS Amb32728960 [1,0,1,0,0,0|2,0,0]=4 267 B11R1.18 CCc1ccsc1CCNC Amb32729310 [1,0,1,0,0,0|0,0,0]=2 268 B11R1.18 CCc1ccsc1CCON Amb32729175 [1,0,1,0,0,0|2,0,0]=4 269 B11R1.18 CCn1ccnc1CCNC Amb24750682 [1,0,1,0,0,0|2,0,0]=4 270 B11R1.18 [C-]#[N+]CCc1sccc1CC Amb32729194 [1,0,1,0,0,0|0,0,2]=4 271 B11R1.59 C#CC(O)c1sccc1CC Amb28349359 [1,0,1,0,0,0|0,0,2]=4 272 B11R1.59 C=C(CN)c1sccc1CC Amb32729095 [1,0,1,0,0,0|1,0,1]=4 273 B11R1.59 C=CC(O)c1sccc1CC Amb27265496 [1,0,1,0,0,0|0,0,2]=4 274 B11R1.59 CC[C@@H](N)c1sccc1OC Amb27798494 [1,0,1,0,0,0|2,0,0]=4 275 B11R1.59 CCc1ccoc1C(N)CC Amb27176265 [1,0,1,0,0,0|1,1,0]=4 276 B11R1.59 CCc1ccsc1C(=O)CN Amb26371011 [1,0,1,0,0,0|0,0,2]=4 277 B11R1.59 CCc1ccsc1C(C)CBr Amb33009162 [1,0,1,0,0,0|2,0,0]=4 278 B11R1.59 CCc1ccsc1C(C)CN Amb32729315 [1,0,1,0,0,0|1,0,0]=3 279 B11R1.59 CCc1ccsc1C(C)NN Amb28284936 [1,0,1,0,0,0|2,0,0]=4 280 B11R1.59 CCc1ccsc1C(C)ON Amb32729171 [1,0,1,0,0,0|2,0,0]=4 281 B11R1.59 CCc1ccsc1C(F)CN Amb32729188 [1,0,1,0,0,0|1,0,0]=3 282 B11R1.59 CCc1ccsc1C(N)CC Amb27183997 [1,0,1,0,0,0|1,0,0]=3 283 B11R1.59 CCc1ccsc1C(N)CO Amb32729512 [1,0,1,0,0,0|2,0,0]=4 284 B11R1.59 CCc1ccsc1C(O)CBr Amb33009168 [1,0,1,0,0,0|1,0,0]=3 285 B11R1.59 CCc1ccsc1C(O)CCl Amb33221292 [1,0,1,0,0,0|1,0,0]=3 286 B11R1.59 CCc1ccsc1C(O)CF Amb32729102 [1,0,1,0,0,0|1,0,0]=3 287 B11R1.59 CCc1ccsc1C(O)CN Amb18198489 [1,0,1,0,0,0|0,0,0]=2 288 B11R1.59 CCc1ccsc1C(O)CO Amb32729103 [1,0,1,0,0,0|1,0,0]=3 289 B11R1.59 CCc1ccsc1[C@@H](N)CO Amb32729183 [1,0,1,0,0,0|2,0,0]=4 290 B11R1.59 CCc1ccsc1[C@@H](O)CN Amb32729187 [1,0,1,0,0,0|0,0,0]=2 291 B11R1.59 CCc1ccsc1[C@H](N)CO Amb32729184 [1,0,1,0,0,0|2,0,0]=4 292 B11R1.59 CCc1ccsc1[C@H](O)CN Amb32729185 [1,0,1,0,0,0|0,0,0]=2 293 B11R1.59 CCc1nnsc1C(O)CC Amb27167449 [1,0,1,0,0,0|2,0,0]=4 294 B11R1.59 CCn1ccnc1C(O)CN Amb25080485 [1,0,1,0,0,0|2,0,0]=4 295 B11R1.59 CCn1ccnc1[C@@H](O)CN Amb33415647 [1,0,1,0,0,0|2,0,0]=4 296 B11R1.59 CCn1ccnc1[C@H](O)CN Amb33415646 [1,0,1,0,0,0|2,0,0]=4 297 B11R1.109 CCCc1nccn1CCO Amb27672868 [1,0,1,0,0,0|2,0,0]=4 298 B11R1.109 CCCn1nccc1CCO Amb24750673 [1,0,1,0,0,0|2,0,0]=4 299 B11R1.109 CNCc1nccn1CCO Amb2592420 [1,0,1,0,0,0|2,0,0]=4 300 B11R2.106 CC1=NCCc2ccsc21 Amb24092194 [2,0,0,0,0,0|1,0,1]=4 301 B11R2.106 CC1CNCc2ccsc21 Amb24092193 [2,0,0,0,0,0|2,0,0]=4 302 B11R2.106 CC1NCCc2ccoc21 Amb27625219 [2,0,0,0,0,0|1,1,0]=4 303 B11R2.106 CC1NCCc2ccsc21 Amb18831057 [2,0,0,0,0,0|1,0,0]=3 304 B11R2.106 CC1NCCc2ncsc21 Amb5735200 [2,0,0,0,0,0|2,0,0]=4 305 B11R2.106 NC1=NCCc2ccsc21 Amb27876086 [2,0,0,0,0,0|1,0,1]=4 306 B11R2.106 NC1CCCc2ccsc21 Amb25873815 [2,0,0,0,0,0|1,0,0]=3 307 B11R2.106 NC1CCCc2ccsc21 Amb32648107 [2,0,0,0,0,0|1,0,0]=3 308 B11R2.106 O=C1OCCc2ccsc21 Amb26050428 [2,0,0,0,0,0|1,0,1]=4 309 B13R1.119 CCCCCCCCc1ccsc1 Amb17750261 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.119 CCCCCCNCc1ccsc1 Amb5262476 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.119 COCCCCCNc1ccsc1 Amb33133278 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.119 COCCCCNCc1ccsc1 Amb18332403 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.343 CN(C)CCCNCc1ccsc1 Amb5262481 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.102 CCc1ccsc1C(O)C(=O)OC Amb32729072 [0,1,1,0,0,0|1,0,1]=4 315 B13R1.208 CNCC(O)c1occc1COC Amb33423738 [0,1,1,0,0,0|0,1,0]=3 316 B13R1.2800 CCc1ccsc1C(O)CC(=O)O Amb32729181 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.2800 CCc1ccsc1[C@@H](O)CC(=O)O Amb33224755 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.2800 CCc1ccsc1[C@H](O)CC(=O)O Amb32729180 [0,1,1,0,0,0|2,0,0]=4 319 B13R2.573 NCC1OCCc2c1csc2Br Amb22713442 [1,1,0,0,0,0|2,0,0]=4 320 B13R2.581 CCC1NCCc2cc(Br)sc21 Amb27852475 [1,1,0,0,0,0|1,0,0]=3 321 B13R2.581 CNC1CCCc2cc(C)oc21 Amb27634128 [1,1,0,0,0,0|1,1,0]=4 322 B13R2.581 CNC1CCCc2nc(C)sc21 Amb18946604 [1,1,0,0,0,0|2,0,0]=4 323 B13R2.581 Cc1cc2c(s1)CCOC2CN Amb27970513 [1,1,0,0,0,0|2,0,0]=4 324 B13R2.581 Cc1cc2c(s1)CCO[C@H]2CN Amb27195906 [1,1,0,0,0,0|2,0,0]=4 325 B13R2.581 Cc1nc2c(s1)C(CN)CCC2 Amb18063174 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.581 NCC1OCCc2sc(F)cc21 Amb26057366 [1,1,0,0,0,0|2,0,0]=4 327 B13R2.581 NCC1OCCc2sc(F)cc21 Amb28600236 [1,1,0,0,0,0|2,0,0]=4 328 B13R2.2565 CC1(CN)OCCc2sccc21 Amb28600280 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.2565 CCC1(C)CNCc2ccsc21 Amb25084242 [1,1,0,0,0,0|2,0,0]=4 330 B13R2.2565 CCC1(C)NCCc2ccoc21 Amb32647666 [1,1,0,0,0,0|1,1,0]=4 331 B13R2.2565 CCC1(C)NCCc2ccsc21 Amb32646804 [1,1,0,0,0,0|1,0,0]=3 332 B13R2.5569 CC(C)C1CNCc2ccsc21 Amb25042724 [1,1,0,0,0,0|2,0,0]=4 333 B13R2.5569 CC(C)C1NCCc2ccoc21 Amb25943156 [1,1,0,0,0,0|1,1,0]=4 334 B13R2.5569 CC(C)C1NCCc2ccsc21 Amb24710325 [1,1,0,0,0,0|1,0,0]=3 335 B13R2.5569 CC(N)C1OCCc2sccc21 Amb27224967 [1,1,0,0,0,0|2,0,0]=4 336 B13R2.5569 CC(N)C1OCCc2sccc21 Amb28600254 [1,1,0,0,0,0|2,0,0]=4 337 B13R2.5569 C[C@@H](N)[C@H]1OCCc2sccc21 Amb27818141 [1,1,0,0,0,0|2,0,0]=4 338 B13R2.259 CNCC1CCc2nc(N)oc21 Amb27795295 [0,1,0,0,1,0|1,1,0]=4 339 B13R2.259 CNCC1CCc2oc(C)cc21 Amb27624919 [0,1,0,0,1,0|2,0,0]=4 340 B13R2.259 CNCC1CCc2oc(C)nc21 Amb27666009 [0,1,0,0,1,0|2,0,0]=4 341 B13R2.259 CNCC1CCc2oc(N)nc21 Amb27634216 [0,1,0,0,1,0|2,0,0]=4 342 B13R2.259 CNCC1CCc2sc(C)nc21 Amb28366223 [0,1,0,0,1,0|2,0,0]=4 343 B13R2.259 CNCC1CCc2sc(N)nc21 Amb28368088 [0,1,0,0,1,0|2,0,0]=4 344 B13R2.259 COCC1NCc2cc(Br)sc21 Amb18710445 [0,1,0,0,1,0|2,0,0]=4 345 B13R2.260 CNCC1CCc2cnn(C)c21 Amb27966191 [0,1,0,0,1,0|2,0,0]=4 346 B13R2.468 CCNCC1CCc2scnc21 Amb27389902 [0,1,0,0,1,0|2,0,0]=4 347 B15R2.800 CNCC1CCCc2c(O)cccc21 Amb27747170 [0,1,0,0,0,1|2,0,0]=4 348 B15R2.11981 CNCC1NCCc2ccc(C)cc21 Amb28256767 [0,1,0,0,0,1|2,0,0]=4 349 B15R2.16857 CNCC1(O)CCCc2ccccc21 Amb18287320 [0,1,0,0,0,1|2,0,0]=4 350 B15R2.18471 CCNCC1CCCc2cccnc21 Amb27465252 [0,1,0,0,0,1|2,0,0]=4 351 B15R2.18471 CCNCC1OCCc2ccccc21 Amb1995205 [0,1,0,0,0,1|1,0,0]=3 352 B15R2.18471 CCNCC1OCCc2ccccc21 Amb4422667 [0,1,0,0,0,1|1,0,0]=3 353 B15R2.18471 CNCCC1CCCc2ccccc21 Amb25753715 [0,1,0,0,0,1|2,0,0]=4 354 B15R2.18471 CNCCC1OCCc2ccccc21 Amb18650950 [0,1,0,0,0,1|1,0,0]=3 355 B15R2.18471 CONCC1CCCc2ccccc21 Amb25870092 [0,1,0,0,0,1|2,0,0]=4 356 B15R2.18471 CONCC1CCCc2ccccc21 Amb32670874 [0,1,0,0,0,1|2,0,0]=4 357 B15R2.18471 CONCC1OCCc2ccccc21 Amb28324268 [0,1,0,0,0,1|1,0,0]=3 358 B15R2.18471 CONCC1OCCc2ccccc21 Amb32682174 [0,1,0,0,0,1|1,0,0]=3 359 B15R2.18471 O=CNCC1OCCc2ccccc21 Amb27625108 [0,1,0,0,0,1|1,0,1]=4 360 B15R2.18471 OCCCC1OCCc2ccccc21 Amb28283038 [0,1,0,0,0,1|2,0,0]=4 361 B15R2.68122 CC(N)CC1OCCc2ccccc21 Amb30010778 [0,1,0,0,0,1|2,0,0]=4 362 B15R2.68122 CN(C)CC1CCCc2ccccc21 Amb27645062 [0,1,0,0,0,1|2,0,0]=4 363 B15R2.68122 CN(C)CC1NCCc2ccccc21 Amb18956500 [0,1,0,0,0,1|2,0,0]=4 364 B15R2.68122 CN(O)CC1CCCc2ccccc21 Amb33380003 [0,1,0,0,0,1|2,0,0]=4 365 B15R2.79765 CCC(N)C1OCCc2ccccc21 Amb2777322 [0,1,0,0,0,1|2,0,0]=4 366 B15R2.79765 CNC(=O)C1OCCc2ccccc21 Amb4420659 [0,1,0,0,0,1|1,0,1]=4 367 B15R2.79765 CNC(C)C1CCCc2cccnc21 Amb27169017 [0,1,0,0,0,1|2,0,0]=4 368 B15R2.79765 CN[C@H](C)C1CCCc2ccccc21 Amb28381992 [0,1,0,0,0,1|2,0,0]=4 369 B15R2.4278 CCCCCC1NCCc2ccsc21 Amb32646987 [0,2,0,0,0,0|2,0,0]=4 370 B15R2.4278 CCSCCC1NCCc2ccsc21 Amb32646893 [0,2,0,0,0,0|2,0,0]=4 371 B15R2.4278 CSCCCC1NCCc2ccsc21 Amb32646879 [0,2,0,0,0,0|2,0,0]=4 372 B15R2.17340 CCCC(C)C1NCCc2ccsc21 Amb32646986 [0,2,0,0,0,0|2,0,0]=4 373 B15R2.17340 COCC(C)C1NCCc2ccsc21 Amb32646895 [0,2,0,0,0,0|2,0,0]=4 374 B15R2.19139 CCC(C)CC1NCCc2ccsc21 Amb32646877 [0,2,0,0,0,0|2,0,0]=4 375 B15R2.19139 CNC(=O)CC1NCCc2ccoc21 Amb32647934 [0,2,0,0,0,0|1,1,0]=4 376 B15R2.19139 CNC(=O)CC1NCCc2ccsc21 Amb32647056 [0,2,0,0,0,0|1,0,0]=3 377 B15R2.19691 CCCCC1(C)NCCc2ccsc21 Amb32646948 [0,2,0,0,0,0|2,0,0]=4 378 B15R2.19691 CCOCC1(C)NCCc2ccsc21 Amb32646829 [0,2,0,0,0,0|2,0,0]=4 379 B15R2.19691 COCCC1(C)NCCc2ccsc21 Amb32646816 [0,2,0,0,0,0|2,0,0]=4 380 B15R2.19753 CC(C)CCC1NCCc2ccsc21 Amb32646889 [0,2,0,0,0,0|2,0,0]=4 381 B15R2.19753 CC(C)NCC1OCCc2sccc21 Amb25771729 [0,2,0,0,0,0|2,0,0]=4 382 B15R2.19845 CC(C)CC1(C)NCCc2ccsc21 Amb32646951 [0,2,0,0,0,0|2,0,0]=4 383 B15R2.27931 CC(C)C(C)C1NCCc2ccsc21 Amb32646871 [0,2,0,0,0,0|2,0,0]=4 384 B15R2.29021 CC(C)(C)CC1NCCc2ccsc21 Amb32646790 [0,2,0,0,0,0|2,0,0]=4 385 B15R2.19436 CCC(C)C1(C)NCCc2ccsc21 Amb32646956 [0,2,0,0,0,0|2,0,0]=4 386 B15R2.19436 COC(C)C1(C)NCCc2ccsc21 Amb32646894 [0,2,0,0,0,0|2,0,0]=4 387 B15R2.72817 CCC1(COC)NCCc2ccsc21 Amb32646864 [0,2,0,0,0,0|2,0,0]=4 388 B15R2.72817 CCCC1(CC)NCCc2ccsc21 Amb32646806 [0,2,0,0,0,0|2,0,0]=4 389 B15R2.13031 CCC(C)(C)C1NCCc2ccsc21 Amb32646868 [0,2,0,0,0,0|2,0,0]=4 390 B15R2.13031 COC(C)(C)C1NCCc2ccsc21 Amb32646923 [0,2,0,0,0,0|2,0,0]=4 391 B15R2.15972 CCC(CC)C1NCCc2ccsc21 Amb32646972 [0,2,0,0,0,0|2,0,0]=4 392 B15R2.15972 CCC(OC)C1NCCc2ccsc21 Amb32646921 [0,2,0,0,0,0|2,0,0]=4 393 B13R2.18 CC1CCNCC1c2ccsc2 Amb33500930 [0,0,1,1,0,0|2,0,0]=4 394 B13R2.18 CN1CCCCC1c2ccoc2 Amb23578303 [0,0,1,1,0,0|1,1,0]=4 395 B13R2.18 CN1CCCCC1c2ccsc2 Amb23578357 [0,0,1,1,0,0|1,0,0]=3 396 B13R2.18 CN1CCNCC1c2ccoc2 Amb33361252 [0,0,1,1,0,0|1,1,0]=4 397 B13R2.18 CN1CCNCC1c2ccsc2 Amb33428948 [0,0,1,1,0,0|1,0,0]=3 398 B13R2.18 CN1CCNCC1c2cscn2 Amb18823098 [0,0,1,1,0,0|2,0,0]=4 399 B13R2.61 CNC1CCCC1c2cnsc2 Amb35731640 [0,0,1,1,0,0|2,0,0]=4 400 B13R2.61 CNC1COCC1c2ccco2 Amb35635699 [0,0,1,1,0,0|2,0,0]=4 401 B13R2.61 CNC1COCC1c2cccs2 Amb35635704 [0,0,1,1,0,0|2,0,0]=4 402 B13R2.61 CNC1COCC1c2ccns2 Amb35632003 [0,0,1,1,0,0|2,0,0]=4 403 B13R2.61 CNC1COCC1c2ccoc2 Amb35635700 [0,0,1,1,0,0|0,1,0]=3 404 B13R2.61 CNC1COCC1c2ccsc2 Amb35635703 [0,0,1,1,0,0|0,0,0]=2 405 B13R2.61 CNC1COCC1c2ccsn2 Amb35635705 [0,0,1,1,0,0|1,0,0]=3 406 B13R2.61 CNC1COCC1c2cncs2 Amb35632007 [0,0,1,1,0,0|2,0,0]=4 407 B13R2.61 CNC1COCC1c2cnsc2 Amb35632000 [0,0,1,1,0,0|1,0,0]=3 408 B13R2.61 CNC1COCC1c2cscn2 Amb29882861 [0,0,1,1,0,0|1,0,0]=3 409 B13R2.64 c1cc(CC2CCCCN2)cs1 Amb18967409 [0,0,1,1,0,0|2,0,0]=4 410 B13R2.64 c1cc(CC2CCCNC2)co1 Amb27205531 [0,0,1,1,0,0|1,1,0]=4 411 B13R2.64 c1cc(CC2CCCNC2)cs1 Amb26840978 [0,0,1,1,0,0|1,0,0]=3 412 B13R2.64 c1cc(CC2CNCCN2)cs1 Amb27864065 [0,0,1,1,0,0|1,0,0]=3 413 B13R2.64 c1cc(CC2COCCN2)cs1 Amb27172362 [0,0,1,1,0,0|2,0,0]=4 414 B13R2.64 c1cc(CN2CCCCO2)cs1 Amb28065619 [0,0,1,1,0,0|2,0,0]=4 415 B13R2.64 c1cc(OC2CCCNC2)cs1 Amb33428871 [0,0,1,1,0,0|2,0,0]=4 416 B13R2.64 c1cn(CC2CNCCO2)cn1 Amb20018976 [0,0,1,1,0,0|2,0,0]=4 417 B13R2.64 c1cn(CC2CNCCO2)cn1 Amb34914127 [0,0,1,1,0,0|2,0,0]=4 418 B13R2.64 c1cn(C[C@@H]2CNCCO2)cn1 Amb24077509 [0,0,1,1,0,0|2,0,0]=4 419 B13R2.64 c1cn(C[C@H]2CNCCO2)cn1 Amb34912502 [0,0,1,1,0,0|2,0,0]=4 420 B13R2.64 c1coc(CC2CNCCO2)c1 Amb27953104 [0,0,1,1,0,0|2,0,0]=4 421 B13R2.64 c1csc(CC2CNCCO2)c1 Amb25699927 [0,0,1,1,0,0|2,0,0]=4 422 B13R2.64 c1nc(CC2CCCNC2)cs1 Amb24593124 [0,0,1,1,0,0|2,0,0]=4 423 B13R2.68 CNCC1CCC1c2cnsc2 Amb35715883 [0,0,1,1,0,0|2,0,0]=4 424 B13R2.68 CNCC1CCN1c2ccsc2 Amb35675375 [0,0,1,1,0,0|2,0,0]=4 425 B13R2.183 c1cc(CCC2CCNC2)cs1 Amb25865151 [0,0,1,1,0,0|1,0,0]=3 426 B13R2.183 c1cc(CN[C@H]2CCNC2)cs1 Amb30040299 [0,0,1,1,0,0|2,0,0]=4 427 B13R2.183 c1cc(COC2CCNC2)cs1 Amb18988511 [0,0,1,1,0,0|2,0,0]=4 428 B13R2.677 c1cc(C2CNCCCO2)cs1 Amb18946617 [0,0,1,1,0,0|2,0,0]=4 429 B13R2.2381 c1cc(CCCC2CNC2)cs1 Amb33321996 [0,0,1,1,0,0|1,0,0]=3 430 B13R2.2381 c1cc(CCOC2CNC2)cs1 Amb32941352 [0,0,1,1,0,0|0,0,0]=2 431 B13R2.2381 c1cc(CCOC2CNC2)sn1 Amb32941740 [0,0,1,1,0,0|2,0,0]=4 432 B13R2.2381 c1cn(CCOC2CNC2)cn1 Amb32941508 [0,0,1,1,0,0|2,0,0]=4 433 B13R2.2381 c1csc(CCOC2CNC2)c1 Amb18314577 [0,0,1,1,0,0|2,0,0]=4 434 B13R2.15 Brc1ccsc1C2CCCNC2 Amb25148641 [0,0,1,1,0,0|2,0,0]=4 435 B13R2.15 Brc1ccsc1C2CNCCO2 Amb25359952 [0,0,1,1,0,0|1,0,0]=3 436 B13R2.15 Brc1ccsc1[C@@H]2CCCNC2 Amb28457567 [0,0,1,1,0,0|2,0,0]=4 437 B13R2.15 Brc1ccsc1[C@@H]2CNCCN2 Amb27648922 [0,0,1,1,0,0|2,0,0]=4 438 B13R2.15 Brc1ccsc1[C@H]2CCCNC2 Amb28055922 [0,0,1,1,0,0|2,0,0]=4 439 B13R2.15 Cc1ccoc1C2CCCNC2 Amb33344755 [0,0,1,1,0,0|1,1,0]=4 440 B13R2.15 Cc1ccoc1C2CNCCO2 Amb33343977 [0,0,1,1,0,0|0,1,0]=3 441 B13R2.15 Cc1ccsc1C2CCCCN2 Amb3788332 [0,0,1,1,0,0|2,0,0]=4 442 B13R2.15 Cc1ccsc1C2CCCNC2 Amb18823897 [0,0,1,1,0,0|1,0,0]=3 443 B13R2.15 Cc1ccsc1C2CNCCO2 Amb27466573 [0,0,1,1,0,0|0,0,0]=2 444 B13R2.15 Cc1ccsc1C2COCCN2 Amb26017418 [0,0,1,1,0,0|2,0,0]=4 445 B13R2.15 Cc1ccsc1[C@@H]2CCCCN2 Amb27168644 [0,0,1,1,0,0|2,0,0]=4 446 B13R2.15 Cc1ccsc1[C@@H]2COCCN2 Amb27592654 [0,0,1,1,0,0|2,0,0]=4 447 B13R2.15 Cc1ccsc1[C@H]2COCCN2 Amb27400829 [0,0,1,1,0,0|2,0,0]=4 448 B13R2.15 Cc1cnoc1C2CNCCO2 Amb18826604 [0,0,1,1,0,0|1,1,0]=4 449 B13R2.15 Cc1cscc1C2CNCCO2 Amb33147703 [0,0,1,1,0,0|2,0,0]=4 450 B13R2.15 Cc1ncsc1C2CCCNC2 Amb18823481 [0,0,1,1,0,0|2,0,0]=4 451 B13R2.15 Cc1ncsc1C2CNCCO2 Amb32876341 [0,0,1,1,0,0|1,0,0]=3 452 B13R2.15 Cc1occc1C2CNCCO2 Amb33473306 [0,0,1,1,0,0|2,0,0]=4 453 B13R2.15 Cc1scnc1C2CNCCO2 Amb18822784 [0,0,1,1,0,0|2,0,0]=4 454 B13R2.15 Clc1ccsc1C2CCCNC2 Amb24664351 [0,0,1,1,0,0|2,0,0]=4 455 B13R2.15 Clc1ccsc1C2CNCCO2 Amb33257597 [0,0,1,1,0,0|1,0,0]=3 456 B13R2.15 Clc1ccsc1[C@@H]2CCCNC2 Amb28343839 [0,0,1,1,0,0|2,0,0]=4 457 B13R2.15 Cn1cccc1C2CNCCO2 Amb33314406 [0,0,1,1,0,0|2,0,0]=4 458 B13R2.15 Cn1ccnc1C2CNCCO2 Amb33226037 [0,0,1,1,0,0|2,0,0]=4 459 B13R2.144 Cc1ccsc1C2CC(=O)CO2 Amb35721885 [0,0,1,1,0,0|2,0,0]=4 460 B13R2.144 Cc1ccsc1C2CC(N)CO2 Amb29861295 [0,0,1,1,0,0|2,0,0]=4 461 B13R2.144 Cc1ccsc1C2CC(O)CO2 Amb35700386 [0,0,1,1,0,0|2,0,0]=4 462 B13R2.181 Cc1ccsc1C2CNCC2N Amb25946440 [0,0,1,1,0,0|2,0,0]=4 463 B13R2.181 Cc1ccsc1C2CNCC2O Amb32950869 [0,0,1,1,0,0|2,0,0]=4 464 B13R2.181 Cc1ccsc1[C@@H]2CNC[C@H]2O Amb32945964 [0,0,1,1,0,0|2,0,0]=4 465 B13R2.2486 CNC(c1sccc1C)C2CC2 Amb18292997 [0,0,1,1,0,0|2,0,0]=4 466 B13R2.8590 COC1(c2nccn2C)CNC1 Amb32675083 [0,0,1,1,0,0|2,0,0]=4 467 B13R2.1 CNCC1OCc2ccccc21 Amb34915058 [0,0,1,1,0,0|1,0,1]=4 468 B13R2.13 CC1CCCC(c2cccs2)N1 Amb32685321 [0,0,1,1,0,0|2,0,0]=4 469 B13R2.13 CC1CCNC(c2cccs2)C1 Amb25328656 [0,0,1,1,0,0|2,0,0]=4 470 B13R2.13 CC1CNCC(c2cccs2)C1 Amb33500894 [0,0,1,1,0,0|1,0,0]=3 471 B13R2.13 CC1CNCC(c2ccsc2)O1 Amb18946615 [0,0,1,1,0,0|2,0,0]=4 472 B13R2.13 CC1CSCC(c2cccs2)N1 Amb27414091 [0,0,1,1,0,0|2,0,0]=4 473 B13R2.13 CN1CCNC(c2cccs2)C1 Amb17335576 [0,0,1,1,0,0|1,0,0]=3 474 B13R2.13 NC1CCOC(c2cccs2)C1 Amb26936255 [0,0,1,1,0,0|2,0,0]=4 475 B13R2.13 NC1CCOC(c2cccs2)C1 Amb28920725 [0,0,1,1,0,0|2,0,0]=4 476 B13R2.13 NC1CNCC(c2cccs2)C1 Amb33500896 [0,0,1,1,0,0|2,0,0]=4 477 B13R2.13 NN1CCCC(c2cccs2)C1 Amb27448088 [0,0,1,1,0,0|2,0,0]=4 478 B13R2.13 NN1CCOC(c2ccco2)C1 Amb18563842 [0,0,1,1,0,0|1,1,0]=4 479 B13R2.13 NN1CCOC(c2cccs2)C1 Amb18564291 [0,0,1,1,0,0|1,0,0]=3 480 B13R2.13 N[C@@H]1CCO[C@@H](c2cccs2)C1 Amb28074959 [0,0,1,1,0,0|2,0,0]=4 481 B13R2.13 N[C@H]1CCO[C@H](c2cccs2)C1 Amb32663316 [0,0,1,1,0,0|2,0,0]=4 482 B13R2.13 N[C@H]1CCO[C@H](c2cccs2)C1 Amb32663317 [0,0,1,1,0,0|2,0,0]=4 483 B13R2.149 CC1CC(c2cccs2)CN1C Amb27197025 [0,0,1,1,0,0|1,0,0]=3 484 B13R2.149 CN1CC(c2cccs2)OC1=O Amb17234008 [0,0,1,1,0,0|1,0,1]=4 485 B13R2.2958 CNCC1(c2cccs2)CCC1 Amb18993329 [0,0,1,1,0,0|1,0,0]=3 486 B13R2.2598 CCc1ccsc1C(N)C2CC2 Amb28127728 [0,0,1,1,0,0|2,0,0]=4 487 B13R2.2598 COc1ccsc1C(O)C2CC2 Amb27840780 [0,0,1,1,0,0|2,0,0]=4 488 B13R2.2607 CCc1ccsc1C2(N)CCC2 Amb32728958 [0,0,1,1,0,0|2,0,0]=4 489 B13R2.2607 CCc1ccsc1C2(O)CNC2 Amb32729057 [0,0,1,1,0,0|0,0,0]=2 490 B13R2.2607 CCn1ccnc1C2(O)CNC2 Amb25034969 [0,0,1,1,0,0|2,0,0]=4 491 B13R2.2609 CCc1ccsc1C2(O)CC2C Amb28366690 [0,0,1,1,0,0|1,0,0]=3 492 B13R2.3040 NC1CCCC(O)c2sccc21 Amb27986184 [0,0,1,1,0,0|2,0,0]=4 493 B13R2.2441 CNCCc1scnc1C2CC2 Amb33144325 [0,0,1,1,0,0|2,0,0]=4 494 B13R3.5732 c1nc2c(s1)C3CCC(C2)C3 Amb30023845 [1,0,0,1,0,0|2,0,0]=4 495 B13R3.5732 c1nc2c(s1)C3CCC(C2)S3 Amb35710360 [1,0,0,1,0,0|1,1,0]=4 496 B13R3.102 NC1CC2CC1c3ccsc32 Amb27653315 [0,0,0,1,1,0|2,0,0]=4 497 B13R3.1922 c1cc2c(s1)C3CNCC3C2 Amb27400341 [0,0,0,1,1,0|0,0,0]=2 498 B15R3.1669 c1cc2c(s1)C3CCCC3NCC2 Amb18190094 [0,0,0,1,0,1|2,0,0]=4 499 B15R3.1669 c1cc2c(s1)C3COCC3NCC2 Amb18813499 [0,0,0,1,0,1|2,0,0]=4 500 B15R3.1669 c1cc2c(s1)C3CSCC3NCC2 Amb18175866 [0,0,0,1,0,1|2,0,0]=4 501 B15R3.1739 c1ccc2c(c1)CCC3CNCC23 Amb27482809 [0,0,0,1,0,1|2,0,0]=4 502 B15R3.1740 c1cc2c(cn1)C3CNCC(C2)C3 Amb27478056 [0,0,0,1,0,1|2,0,0]=4 503 B15R3.1740 c1cc2c(cn1)CC3CNCC2C3 Amb27233029 [0,0,0,1,0,1|2,0,0]=4 504 B15R3.1740 c1ccc2c(c1)C[C@@H]3CNC[C@H]2C3 Amb27873528 [0,0,0,1,0,1|2,0,0]=4 505 B15R3.1740 c1cnc2c(c1)CC3CNCC2C3 Amb27415807 [0,0,0,1,0,1|2,0,0]=4 506 B15R3.1969 c1cc2c3c(c1)CNCC3CCC2 Amb25724335 [0,0,0,1,0,1|2,0,0]=4 507 B15R3.1969 c1cc2c3c(c1)CNCC3CCC2 Amb33330558 [0,0,0,1,0,1|2,0,0]=4 508 B15R3.1969 c1cc2c3c(c1)CNCC3NCC2 Amb17506022 [0,0,0,1,0,1|2,0,0]=4 509 B15R3.2013 CN1C[C@H]2CC[C@H]1c3ccccc32 Amb28054760 [0,0,0,1,0,1|2,0,0]=4 510 B15R3.4424 c1ccc2c(c1)CCCC23CNC3 Amb26868333 [0,0,0,1,0,1|2,0,0]=4 511 B15R3.909 CN1CC2NCc3ccsc3C2C1 Amb18189678 [0,1,0,1,0,0|2,0,0]=4 512 B15R3.16114 Nc1nc2c(s1)C3CNCC(C2)C3 Amb27636215 [0,1,0,1,0,0|2,0,0]=4 513 B15R3.2077 CC1CC1C2NCCc3ccsc32 Amb32647096 [0,1,0,1,0,0|2,0,0]=4 514 B15R3.17827 CC1CCC12NCCc3ccsc32 Amb32646869 [0,1,0,1,0,0|2,0,0]=4 515 B15R3.32333 c1cc2c(s1)C3(CCCC3)NCC2 Amb32675349 [0,1,0,1,0,0|2,0,0]=4 516 B15R3.32333 c1cc2c(s1)C3(CCNC3)OCC2 Amb28401468 [0,1,0,1,0,0|0,0,0]=2 517 B15R3.32333 c1cc2c(s1)C3(CCOC3)NCC2 Amb32646837 [0,1,0,1,0,0|2,0,0]=4 518 B15R3.32333 c1cc2c(s1)C3(CCSC3)NCC2 Amb32646967 [0,1,0,1,0,0|2,0,0]=4 519 B15R3.83099 NC1CCC2(CCC2)c3sccc31 Amb18190082 [0,1,0,1,0,0|2,0,0]=4 520 B15R3.83099 NC1CCC2(COC2)c3sccc31 Amb18813503 [0,1,0,1,0,0|2,0,0]=4 521 B15R3.15029 CC1CC2(C1)NCCc3ccsc32 Amb32646881 [0,1,0,1,0,0|2,0,0]=4 522 B15R3.46133 CC1(C2CC2)NCCc3ccsc31 Amb32646961 [0,1,0,1,0,0|2,0,0]=4 523 B15R3.45694 CC1(C2NCCc3ccsc32)CC1 Amb32646780 [0,1,0,1,0,0|2,0,0]=4 524 B11R2.191 CNC1CCc2cnoc21 Amb27962712 [1,0,0,0,1,0|1,1,0]=4 525 B11R2.191 CNC1CCc2cocc21 Amb27193906 [1,0,0,0,1,0|2,0,0]=4 526 B11R2.191 CNC1CCc2conc21 Amb27442143 [1,0,0,0,1,0|2,0,0]=4 527 B11R2.191 CNC1CCc2ocnc21 Amb28384453 [1,0,0,0,1,0|2,0,0]=4 528 B11R2.191 NCC1CCc2cnoc21 Amb18832201 [1,0,0,0,1,0|1,1,0]=4 529 B11R2.191 NCC1CCc2cnsc21 Amb18830944 [1,0,0,0,1,0|1,0,0]=3 530 B11R2.191 NCC1CCc2sccc21 Amb22713443 [1,0,0,0,1,0|2,0,0]=4 531 B11R2.191 NCC1CCc2scnc21 Amb18830959 [1,0,0,0,1,0|2,0,0]=4 532 B11R2.191 NCC1CCn2ccnc21 Amb24351268 [1,0,0,0,1,0|2,0,0]=4 533 B13R1.28 CCCCOCCc1ccccc1 Amb24065444 [0,0,1,0,0,1|2,0,0]=4 534 B13R1.2 CNCC(OC)c1cccc(Br)c1 Amb17605886 [0,0,1,0,0,1|2,0,0]=4 535 B13R1.2 CNCC(OC)c1cccc(Cl)c1 Amb17605863 [0,0,1,0,0,1|2,0,0]=4 536 B13R1.2 CNCC(OC)c1cccc(F)c1 Amb17605883 [0,0,1,0,0,1|2,0,0]=4 537 B13R1.173 CNCC(OC)c1ccccc1C Amb17605895 [0,0,1,0,0,1|1,0,0]=3 538 B13R1.173 CNCC(OC)c1ccccc1Cl Amb17605888 [0,0,1,0,0,1|2,0,0]=4 539 B13R1.173 CNCC(OC)c1ccccc1F Amb17605889 [0,0,1,0,0,1|2,0,0]=4 540 B13R1.398 CCOC(CNC)c1ccccc1 Amb17605900 [0,0,1,0,0,1|1,0,0]=3 541 B13R1.460 CCc1cccc(C(O)CNC)c1 Amb33473902 [0,0,1,0,0,1|1,0,0]=3 542 B13R1.460 CNCC(O)c1cc(OC)ccn1 Amb33319066 [0,0,1,0,0,1|2,0,0]=4 543 B13R1.460 CNCC(O)c1cccc(OC)c1 Amb6357648 [0,0,1,0,0,1|2,0,0]=4 544 B13R1.460 CNCC(O)c1cccc(OC)n1 Amb33202195 [0,0,1,0,0,1|2,0,0]=4 545 B13R1.460 CNCC(O)c1cccc(SC)c1 Amb33143797 [0,0,1,0,0,1|2,0,0]=4 546 B13R1.464 CCc1ccccc1C(O)CNC Amb19031256 [0,0,1,0,0,1|1,0,0]=3 547 B13R1.464 CNCC(O)c1ccccc1OC Amb5750900 [0,0,1,0,0,1|2,0,0]=4 548 B13R1.464 CNCC(O)c1ccccc1SC Amb33079000 [0,0,1,0,0,1|2,0,0]=4 549 B13R1.464 CNCC(O)c1cccnc1OC Amb33359153 [0,0,1,0,0,1|2,0,0]=4 550 B13R1.464 CNCC(O)c1ncccc1OC Amb33429479 [0,0,1,0,0,1|2,0,0]=4 551 B15R2.1291 CNCC1CCCc2ccccc2N1 Amb33228300 [0,0,0,0,0,2|2,0,0]=4 552 B15R2.55017 CNCC1CCCCc2ccccc21 Amb27606671 [0,0,0,0,0,2|2,0,0]=4