0 B11R1.28 C#CCNCC1=CC=CC=C1 SBB300092 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.28 CC#CCNC1=CC=CC=C1 SBB010305 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.28 N#CCCCC1=NC=CC=C1 SBB018559 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.28 N#CCCNC1=CC=CC=C1 SBB004106 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.28 OCCNCC1=CC=CN=C1 SBB010335 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.28 S=C=NCCC1=CC=CC=C1 SBB002732 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.17 CCNCC1=CC=NC=C1 SBB058813 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 NCCSC1=NC=CC=C1 SBB050976 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.17 OCCCC1=CC=NC=C1 SBB072686 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [1,0,0,0,0,0|3,0,0]=4 55 B12R1.1 CC1=CC=C(OCCCN)C=C1 SBB085497 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.1 CCCCCC1=CN=C(Cl)N=C1 SBB059369 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.1 CCCCOC1=CC=C(Br)C=C1 SBB008359 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.1 CCCCOC1=CC=C(C)C=C1 SBB008351 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.1 CCCCOC1=CC=C(Cl)C=C1 SBB061312 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.1 CCCCOC1=CC=C(N)C=C1 SBB008295 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.1 CCCCOC1=CC=C(O)C=C1 SBB058865 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.1 CCCCSC1=CC=C(N)C=C1 SBB072787 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.1 CCNCCC1=CC=C(C)C=C1 SBB052427 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.1 CNCCOC1=CC=C(C)C=C1 SBB010460 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.1 CNCCOC1=CC=C(F)C=C1 SBB085381 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 SBB018282 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.1 FC1=CC=C(OCCCCl)C=C1 SBB003674 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 SBB010729 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 SBB071568 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.1 OCCNCC1=CC=C(F)C=C1 SBB080484 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.8 BrCCCOCC1=CC=CC=C1 SBB055279 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.8 CC#CCNCC1=CC=CC=C1 SBB300108 [0,1,0,0,0,0|1,0,2]=4 75 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB056785 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB080384 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.8 N#CCCOCC1=CC=CC=C1 SBB072745 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.8 NCCCNCC1=CC=CC=C1 SBB015090 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.8 NCCCOCC1=CC=CC=C1 SBB072321 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.8 OCCCNCC1=CC=CC=C1 SBB055297 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.8 OCCNCCC1=CC=NC=C1 SBB027979 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.8 OCCSCCC1=CC=NC=C1 SBB049073 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.27 CCC(O)C#CC1=CC=CC=C1 SBB008984 [0,1,0,0,0,0|1,0,2]=4 89 B12R1.27 OC(CCl)COC1=CC=CC=C1 SBB061224 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.27 OC(COC1=CC=CC=C1)CN SBB010049 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 SBB088177 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.28 CC1=CC(OCCCN)=CC=C1 SBB085451 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.28 CCCCCC1=CC=CC(=O)O1 SBB008445 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.28 OCCNCC1=CC=CC(Cl)=C1 SBB111087 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [0,1,0,0,0,0|1,0,1]=3 96 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.30 CN(CCCN)C1=CC=CC=C1 SBB051731 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.30 OCCN[C@H](C)C1=CC=CC=C1 SBB010055 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.32 CCOC(=O)CC1=CC=CC=N1 SBB058275 [0,1,0,0,0,0|1,0,1]=3 104 B12R1.32 CCOC(=O)NC1=NC=CC=C1 SBB017258 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,1,0,0,0,0|0,0,1]=2 106 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.252 FC(F)CNCC1=CC=CC=C1 SBB046667 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [0,1,0,0,0,0|1,0,1]=3 116 B12R1.252 O=C(O)CCSC1=CC=CC=N1 SBB103611 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.267 CCCCOC1=C(N)C=CC=C1 SBB001578 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.267 CNCCOC1=C(C)C=CC=C1 SBB080543 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.267 CNCCOC1=C(F)C=CC=C1 SBB085380 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.267 COCCOC1=C(N)C=CC=C1 SBB085487 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.267 FC1=C(OCCCBr)C=CC=C1 SBB302486 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.267 NCCCOC1=C(F)C=CC=C1 SBB085447 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.267 NCCOCC1=CC=CC=C1Cl SBB005406 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.267 NCCSCC1=C(F)C=CC=C1 SBB010724 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.267 NCCSCC1=CC=CC=C1Cl SBB076799 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 SBB010731 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.71 CCCCC\C=C\C=C\C=O SBB066368 [0,0,1,0,0,0|1,0,0]=2 128 B12R2.2 C1=CC(N2CCCC2)=CC=N1 SBB004083 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [0,0,0,1,0,0|1,0,0]=2 130 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.2 C1=CC=C(C2NCCS2)C=C1 SBB087945 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.2 C1=CN=C(C2CCCN2)C=C1 SBB050916 [0,0,0,1,0,0|1,0,0]=2 136 B12R2.27 OCC1CC1C2=CC=CC=C2 SBB084422 [0,0,0,1,0,0|2,0,0]=3 137 B12R2.41 C1=CC2=C(C=C1)CCNCC2 SBB086557 [0,0,0,1,0,0|2,0,0]=3 138 B12R2.41 C1=CC2=C(C=C1)OCCCO2 SBB016570 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.1081 NC1CCOC2=CC=CC=C21 SBB042737 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SBB066987 [0,0,0,1,0,0|2,0,1]=4 143 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.1081 O[C@H]1CCOC2=CC=CC=C21 SBB086707 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 SBB085367 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.2057 C1=CC(CNC2CC2)=CN=C1 SBB085360 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SBB060525 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 SBB046556 [0,0,0,1,0,0|1,0,0]=2 149 B10R1.21 CCCCNC1=NC=CS1 SBB023788 [0,0,0,0,1,0|2,0,0]=3 150 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [0,0,0,0,1,0|2,0,0]=3 151 B10R1.21 NCCCCN1C=CN=C1 SBB010277 [0,0,0,0,1,0|3,0,0]=4 152 B10R1.21 NCCSCC1=CC=CO1 SBB010394 [0,0,0,0,1,0|3,0,0]=4 153 B10R1.21 OCCNCC1=CC=CO1 SBB017330 [0,0,0,0,1,0|3,0,0]=4 154 B10R1.21 OCCNCC1=CC=CS1 SBB017943 [0,0,0,0,1,0|3,0,0]=4 155 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,0,1,0,0,0|1,0,1]=4 156 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.8 CNCC1=NC=CN=C1 SBB014431 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.8 COCC1=CC=CC=C1 SBB063549 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.8 N#CCC1=NC=CC=C1 SBB049639 [2,0,0,0,0,0|1,0,1]=4 166 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.8 SCCC1=NC=CN=C1 SBB067078 [2,0,0,0,0,0|2,0,0]=4 171 B11R0.3 CCCCCC\C=C\C=C\C=O SBB068342 [0,1,1,0,0,0|1,0,0]=3 172 B11R0.140 C\C=C\C=C\C(=O)OCCCC SBB007991 [0,1,1,0,0,0|2,0,0]=4 173 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.1 CCCOC1=CC=C(Br)C=C1 SBB059354 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.1 CCCOC1=CC=C(N)C=C1 SBB008316 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.1 CCCOC1=CC=C(O)C=C1 SBB059151 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SBB080066 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.1 NCCCC1=CC=C(Cl)C=C1 SBB010509 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SBB055172 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.1 OCCSC1=CC=C(Cl)C=N1 SBB054333 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.16 CCOC(=O)C1=NC=CC=C1 SBB065219 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.16 CN(CCO)C1=NC=CC=C1 SBB017928 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.17 CCCOC1=CC=CC=C1C SBB060850 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.17 CCCOC1=CC=CC=C1N SBB027936 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.17 NCCCC1=CC=CC=C1Cl SBB010508 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.24 CC1=CC=CC(CCCO)=N1 SBB047991 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.24 CCCNC1=CC(C)=CC=C1 SBB048620 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.24 CCCOC1=CC(N)=CC=C1 SBB080014 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.24 CCCOC1=CC=NC(S)=N1 SBB021983 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.40 CNC(C)CC1=CC=CC=N1 SBB025630 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.40 CNC(C)CC1=CN=CC=N1 SBB025635 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.91 CC(N)COC1=CC=CC=C1 SBB084093 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.91 NC(=S)CCC1=NC=CC=C1 SBB019122 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.4 COCCNCC1=CSC=C1 SBB110005 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.4 ClCCOCCN1C=CC=N1 SBB300326 [0,1,0,0,1,0|2,0,0]=4 208 B11R1.25 CNC(C)CCC1=CC=CO1 SBB007121 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.27 CCCCCC1=NN=C(N)S1 SBB015255 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.29 CCCCC(=O)C1=CC=CS1 SBB048219 [0,1,0,0,1,0|1,0,1]=4 211 B11R1.172 CC(O)COCC1=CC=CO1 SBB017123 [0,1,0,0,1,0|2,0,0]=4 212 B13R1.9 CC1=CC=C(NCCCCO)C=C1 SBB000209 [0,2,0,0,0,0|2,0,0]=4 213 B13R1.9 CCCCCCC1=CC=C(N)C=C1 SBB006538 [0,2,0,0,0,0|1,0,0]=3 214 B13R1.9 CCCCCCC1=CC=C(O)C=C1 SBB059155 [0,2,0,0,0,0|1,0,0]=3 215 B13R1.9 CCCCCOC1=CC=C(Br)C=C1 SBB059355 [0,2,0,0,0,0|1,0,0]=3 216 B13R1.9 CCCCCOC1=CC=C(N)C=C1 SBB008317 [0,2,0,0,0,0|1,0,0]=3 217 B13R1.9 CCOCCOC1=CC=C(N)C=C1 SBB080110 [0,2,0,0,0,0|2,0,0]=4 218 B13R1.9 CNCCCOC1=CC=C(Cl)C=C1 SBB085470 [0,2,0,0,0,0|2,0,0]=4 219 B13R1.9 CNCCCOC1=CC=C(F)C=C1 SBB303287 [0,2,0,0,0,0|2,0,0]=4 220 B13R1.9 ClC1=CC=C(OCCCCBr)C=C1 SBB027419 [0,2,0,0,0,0|2,0,0]=4 221 B13R1.9 OC1=CC=C(OCCCCC)C=C1 SBB005867 [0,2,0,0,0,0|1,0,0]=3 222 B13R1.9 OCCCCNC1=CC=C(F)C=C1 SBB010701 [0,2,0,0,0,0|2,0,0]=4 223 B13R1.14 CCC(C)NCC1=CC=C(C)C=C1 SBB080104 [0,2,0,0,0,0|2,0,0]=4 224 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 SBB065070 [0,2,0,0,0,0|1,0,1]=4 225 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 SBB005774 [0,2,0,0,0,0|1,0,1]=4 226 B13R1.17 CCCCC(=O)C1=CC=C(F)C=C1 SBB005843 [0,2,0,0,0,0|1,0,1]=4 227 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 SBB063295 [0,2,0,0,0,0|1,0,1]=4 228 B13R1.371 C(=O)C1=CC=C(CCCCC)C=C1 SBB008364 [0,2,0,0,0,0|1,0,0]=3 229 B13R1.371 C(=O)C1=CC=C(OCCCC)C=C1 SBB008007 [0,2,0,0,0,0|2,0,0]=4 230 B13R1.371 CCCCCC1=CC=C(C#N)C=C1 SBB059147 [0,2,0,0,0,0|1,0,0]=3 231 B13R1.371 CCCCOC1=CC=C(C#N)C=C1 SBB008366 [0,2,0,0,0,0|2,0,0]=4 232 B13R1.6 CCOCCOC1=CC(N)=CC=C1 SBB080162 [0,2,0,0,0,0|2,0,0]=4 233 B13R1.24 CC(NCCCO)C1=CC=CC=N1 SBB301399 [0,2,0,0,0,0|1,0,0]=3 234 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 SBB058875 [0,2,0,0,0,0|1,0,0]=3 235 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 SBB060566 [0,2,0,0,0,0|1,0,1]=4 236 B13R1.24 NCCCNC(=O)C1=NC=CC=C1 SBB301291 [0,2,0,0,0,0|1,0,1]=4 237 B13R1.28 CCCCCCCC1=CC=CC=C1 SBB057142 [0,2,0,0,0,0|1,0,0]=3 238 B13R1.28 COCCCNCC1=CC=CC=N1 SBB301410 [0,2,0,0,0,0|0,0,0]=2 239 B13R1.28 N#CCCNCCC1=CC=CC=C1 SBB080772 [0,2,0,0,0,0|1,0,1]=4 240 B13R1.28 OCCCCNCC1=CC=CC=C1 SBB000208 [0,2,0,0,0,0|1,0,0]=3 241 B13R1.42 CCCC(O)C#CC1=CC=CC=C1 SBB008960 [0,2,0,0,0,0|1,0,1]=4 242 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [0,2,0,0,0,0|1,0,1]=4 243 B13R1.42 CNCC(O)COC1=CC=CC=C1 SBB045229 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.42 COCC(O)CNC1=CC=CC=C1 SBB010676 [0,2,0,0,0,0|2,0,0]=4 245 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 SBB061302 [0,2,0,0,0,0|1,0,1]=4 246 B13R1.337 CN(C)CCNCC1=CC=CC=N1 SBB301462 [0,2,0,0,0,0|1,0,0]=3 247 B13R1.337 FC(F)CNCCC1=CC=CC=C1 SBB046664 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [0,2,0,0,0,0|1,0,1]=4 249 B13R1.337 O=C(O)CSCCC1=NC=CC=C1 SBB300316 [0,2,0,0,0,0|1,0,1]=4 250 B13R1.555 CCCCNCC1=C(Cl)C=CC=C1 SBB080107 [0,2,0,0,0,0|1,0,0]=3 251 B13R1.555 CCOCCOC1=CC=CC=C1N SBB080161 [0,2,0,0,0,0|2,0,0]=4 252 B13R1.555 CNCCCOC1=C(C)C=CC=C1 SBB085469 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.555 CNCCCOC1=CC=CC=C1Cl SBB302544 [0,2,0,0,0,0|2,0,0]=4 254 B13R1.555 OCCCNCC1=C(F)C=CC=C1 SBB027777 [0,2,0,0,0,0|2,0,0]=4 255 B13R1.555 OCCCNCC1=CC=CC=C1Cl SBB010984 [0,2,0,0,0,0|2,0,0]=4 256 B13R1.718 CCC(O)CC#CC1=CC=CC=C1 SBB008961 [0,2,0,0,0,0|1,0,1]=4 257 B13R1.718 COC(=O)CCCC1=CC=CC=C1 SBB007854 [0,2,0,0,0,0|1,0,1]=4 258 B13R1.718 NCC(O)COCC1=CC=CC=C1 SBB010672 [0,2,0,0,0,0|2,0,0]=4 259 B13R1.718 OC(CCl)COCC1=CC=CC=C1 SBB056727 [0,2,0,0,0,0|2,0,0]=4 260 B13R1.718 OCC(O)COCC1=CC=CC=C1 SBB058667 [0,2,0,0,0,0|2,0,0]=4 261 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O SBB014776 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.417 CCN(CC)CCC1=NC=CC=C1 SBB079707 [0,2,0,0,0,0|1,0,0]=3 263 B13R1.417 N(CC1=CC=CC=C1)[C@H](CC)CO SBB040057 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.528 CCC(C)NCC1=C(C)C=CC=C1 SBB080106 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.528 CCC(C)NCC1=C(Cl)C=CC=C1 SBB080109 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.18 [NH2+](CC)CC(O)C1=CC=CC(O)=C1 SBB057403 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.55 CCCCSC1=NC(N)=CC(=O)N1 SBB062602 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.656 CCCCCC1=CC(C)=CC=C1O SBB059373 [0,2,0,0,0,0|1,0,0]=3 269 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 SBB089573 [0,2,0,0,0,0|2,0,0]=4 270 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 SBB025723 [0,2,0,0,0,0|2,0,0]=4 271 B13R1.158 CC(O)CNCC1=C(F)C=CC=C1 SBB010700 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.84 CCCCOC1=CC=CC=C1C=O SBB020088 [0,2,0,0,0,0|2,0,0]=4 273 B11R2.1 CC1CCC2=NC=CN=C21 SBB057575 [1,0,0,1,0,0|1,0,0]=3 274 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [1,0,0,1,0,0|2,0,0]=4 275 B11R2.1 O=C1CCC2=C1C=CC=N2 SBB056372 [1,0,0,1,0,0|1,0,1]=4 276 B11R2.1 OC1CCC2=C1C=CC=N2 SBB056373 [1,0,0,1,0,0|1,0,0]=3 277 B11R2.20 C1=CC2=C(C=C1)CCCC2 SBB060619 [1,0,0,1,0,0|1,0,0]=3 278 B11R2.20 C1=CC2=C(C=C1)CNCC2 SBB027303 [1,0,0,1,0,0|2,0,0]=4 279 B11R2.20 C1=CC=C2NCCCC2=C1 SBB040463 [1,0,0,1,0,0|2,0,0]=4 280 B11R2.2 C1=CN(C2CCCC2)N=C1 SBB025146 [0,0,0,1,1,0|1,0,0]=3 281 B11R2.2 C1=COC(C2CCCN2)=C1 SBB025605 [0,0,0,1,1,0|2,0,0]=4 282 B11R2.2 C1=CSC(C2CCCN2)=C1 SBB025607 [0,0,0,1,1,0|2,0,0]=4 283 B11R2.2 C1=CSC(N2CCCC2)=C1 SBB059083 [0,0,0,1,1,0|2,0,0]=4 284 B11R2.106 CC1NCCC2=C1C=CS2 SBB010341 [0,0,0,1,1,0|2,0,0]=4 285 B11R2.106 CC1NCCN2C=CC=C12 SBB014867 [0,0,0,1,1,0|2,0,0]=4 286 B11R2.385 C1=CSC(CNC2CC2)=C1 SBB085420 [0,0,0,1,1,0|2,0,0]=4 287 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 SBB025075 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 SBB025074 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 SBB009578 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 SBB098377 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.12 NC1=CN=C(N2CCCC2)C=C1 SBB025707 [0,1,0,1,0,0|1,0,0]=3 292 B13R2.162 CN1CCCC2=CC=C(N)C=C21 SBB048187 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.527 NC1=CC=C(OCC2CC2)C=C1 SBB024385 [0,1,0,1,0,0|2,0,0]=4 294 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 SBB010178 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SBB061269 [0,1,0,1,0,0|1,0,1]=4 296 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 SBB060081 [0,1,0,1,0,0|1,0,0]=3 297 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 SBB022661 [0,1,0,1,0,0|1,0,0]=3 298 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 SBB010187 [0,1,0,1,0,0|1,0,0]=3 299 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 SBB014484 [0,1,0,1,0,0|1,0,0]=3 300 B13R2.3 C1=CC=C(C2CCOCO2)C=C1 SBB068827 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 SBB087643 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.3 C1=CC=C(C2OCCCO2)C=C1 SBB060991 [0,1,0,1,0,0|2,0,0]=4 303 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 SBB059731 [0,1,0,1,0,0|2,0,0]=4 304 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 SBB003556 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.3 C1=CN=C(N2CCNCC2)C=C1 SBB006445 [0,1,0,1,0,0|1,0,0]=3 306 B13R2.3 C1=CN=C(N2CCNCC2)C=N1 SBB005549 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.3 C1=CN=C(N2CCNCC2)N=C1 SBB000395 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.3 C1=CN=C(N2CCNCC2)N=C1 SBB003236 [0,1,0,1,0,0|2,0,0]=4 309 B13R2.3 N1CCCCC1C2=CC=CN=C2 SBB000142 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.3 N1CCN(C2=CC=CC=C2)CC1 SBB003943 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.3 N1CCN(C2=NC=CC=N2)CC1 SBB003913 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.15 CN1CCC[C@H]1C2=CN=CC=C2 SBB012359 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.1613 NCC1NCCC2=C1C=CC=C2 SBB001529 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.1613 NCC1OCCC2=CC=CC=C21 SBB050938 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.1613 OCC1OCCC2=CC=CC=C21 SBB014270 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.2382 C1=CC(CCNC2CC2)=CC=N1 SBB302907 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 SBB010434 [0,1,0,1,0,0|1,0,0]=3 318 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 SBB060420 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SBB060969 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.57 BrCC1CCC2=CC=CC=C2O1 SBB054977 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.13 CC1=CC(C2CCCN2)=CC=C1 SBB025072 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.13 ClC1=NC(N2CCCC2)=CC=N1 SBB054492 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 SBB012996 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.13 NC1=CC=CC(N2CCCC2)=C1 SBB010438 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.5331 FC1=CC=CC(CNC2CC2)=C1 SBB109029 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 SBB008494 [0,1,0,1,0,0|1,0,1]=4 327 B13R2.18 CC1=CC=CC=C1C2CCCN2 SBB025073 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.18 FC1=CC=CC=C1C2CCCN2 SBB025604 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.18 NC1=CC=CC=C1N2CCCC2 SBB026006 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.18 NC1=CC=CN=C1N2CCCC2 SBB046319 [0,1,0,1,0,0|1,0,0]=3 331 B13R2.18 OC1=CC=CC=C1N2CCCC2 SBB055183 [0,1,0,1,0,0|2,0,0]=4 332 B13R2.3587 FC1=C(CNC2CC2)C=CC=C1 SBB085355 [0,1,0,1,0,0|2,0,0]=4 333 B13R2.3587 OC1=C(CNC2CC2)C=CC=C1 SBB025290 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.12 CCCCN1C=CN=C1 SBB108734 [1,0,0,0,1,0|2,0,0]=4 335 B9R1.12 CCNCC1=CC=CO1 SBB047492 [1,0,0,0,1,0|2,0,0]=4 336 B9R1.12 NCCCC1=CC=CO1 SBB047796 [1,0,0,0,1,0|2,0,0]=4 337 B9R1.12 NCCCN1C=CC=N1 SBB017906 [1,0,0,0,1,0|2,0,0]=4 338 B9R1.12 OCCCN1C=CC=N1 SBB022862 [1,0,0,0,1,0|2,0,0]=4