0 B12R1.8 BrCCCOCC1=CC=CC=C1 SBB055279 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.8 CC#CCNCC1=CC=CC=C1 SBB300108 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB056785 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB080384 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.8 N#CCCNCC1=CC=CN=C1 SBB079077 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.8 N#CCCOCC1=CC=CC=C1 SBB072745 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.8 NCCCNCC1=CC=CC=C1 SBB015090 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.8 NCCCOCC1=CC=CC=C1 SBB072321 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.8 OCCCNCC1=CC=CC=C1 SBB055297 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.8 OCCNCCC1=CC=NC=C1 SBB027979 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.8 OCCSCCC1=CC=NC=C1 SBB049073 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.28 C#CCNCC1=CC=CC=C1 SBB300092 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.28 CC#CCNC1=CC=CC=C1 SBB010305 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [1,0,0,0,0,0|0,0,0]=1 17 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.28 N#CCCCC1=NC=CC=C1 SBB018559 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 N#CCCNC1=CC=CC=C1 SBB004106 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.28 OCCNCC1=CC=CN=C1 SBB010335 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.28 S=C=NCCC1=CC=CC=C1 SBB002732 [1,0,0,0,0,0|1,1,1]=4 43 B13R1.6 CCOCCOC1=CC(N)=CC=C1 SBB080162 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.9 CC1=CC=C(NCCCCO)C=C1 SBB000209 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.9 CCCCCCC1=CC=C(N)C=C1 SBB006538 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.9 CCCCCCC1=CC=C(O)C=C1 SBB059155 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.9 CCCCCOC1=CC=C(Br)C=C1 SBB059355 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.9 CCCCCOC1=CC=C(N)C=C1 SBB008317 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.9 CCOCCOC1=CC=C(N)C=C1 SBB080110 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.9 CNCCCOC1=CC=C(Cl)C=C1 SBB085470 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.9 CNCCCOC1=CC=C(F)C=C1 SBB303287 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.9 ClC1=CC=C(OCCCCBr)C=C1 SBB027419 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.9 OC1=CC=C(OCCCCC)C=C1 SBB005867 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.9 OCCCCNC1=CC=C(F)C=C1 SBB010701 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.24 CC(NCCCO)C1=CC=CC=N1 SBB301399 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.24 CC(NCCCO)C1=CC=CN=C1 SBB301400 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 SBB058875 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 SBB060566 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.28 C=COCCNCC1=CC=CC=C1 SBB010618 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.28 CCCCCCCC1=CC=CC=C1 SBB057142 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.28 COCCCNCC1=CC=CC=N1 SBB301410 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.28 N#CCCNCCC1=CC=CC=C1 SBB080772 [0,1,0,0,0,0|1,0,1]=3 63 B13R1.28 OCCCCNCC1=CC=CC=C1 SBB000208 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.42 CCCC(O)C#CC1=CC=CC=C1 SBB008960 [0,1,0,0,0,0|1,0,2]=4 65 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.42 CNCC(O)COC1=CC=CC=C1 SBB045229 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.42 COCC(O)CNC1=CC=CC=C1 SBB010676 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 SBB061302 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.337 FC(F)CNCCC1=CC=CC=C1 SBB046664 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 SBB080364 [0,1,0,0,0,0|1,0,2]=4 71 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [0,1,0,0,0,0|0,0,1]=2 72 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 SBB015389 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.337 O=C(O)CSCCC1=NC=CC=C1 SBB300316 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.555 CCCCNCC1=C(Cl)C=CC=C1 SBB080107 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.555 CCOCCOC1=CC=CC=C1N SBB080161 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.555 CNCCCOC1=C(C)C=CC=C1 SBB085469 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.555 CNCCCOC1=CC=CC=C1Cl SBB302544 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.555 OCCCNCC1=C(F)C=CC=C1 SBB027777 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.555 OCCCNCC1=CC=CC=C1Cl SBB010984 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.718 CCC(O)CC#CC1=CC=CC=C1 SBB008961 [0,1,0,0,0,0|1,0,2]=4 82 B13R1.718 COC(=O)CCCC1=CC=CC=C1 SBB007854 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.718 NCC(O)COCC1=CC=CC=C1 SBB010672 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 SBB080036 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 SBB001602 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.718 OC(CCl)COCC1=CC=CC=C1 SBB056727 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.718 OCC(O)COCC1=CC=CC=C1 SBB058667 [0,1,0,0,0,0|1,0,0]=2 88 B11R0.3 CCCCCC\C=C\C=C\C=O SBB068342 [0,0,1,0,0,0|2,0,0]=3 89 B13R2.1 OCCC1=CNC2=C1C=CC=C2 SBB003950 [0,0,0,1,0,0|1,0,2]=4 90 B13R2.1 OCCN1C=NC2=CC=CC=C21 SBB050498 [0,0,0,1,0,0|2,0,1]=4 91 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 SBB010178 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SBB061269 [0,0,0,1,0,0|1,0,1]=3 93 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 SBB003589 [0,0,0,1,0,0|2,0,1]=4 94 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 SBB060081 [0,0,0,1,0,0|1,0,0]=2 95 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 SBB022661 [0,0,0,1,0,0|1,0,0]=2 96 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 SBB010187 [0,0,0,1,0,0|2,0,0]=3 97 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 SBB014484 [0,0,0,1,0,0|2,0,0]=3 98 B13R2.3 C1=CC=C(C2CCOCO2)C=C1 SBB068827 [0,0,0,1,0,0|1,0,0]=2 99 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 SBB087643 [0,0,0,1,0,0|2,0,0]=3 100 B13R2.3 C1=CC=C(C2OCCCO2)C=C1 SBB060991 [0,0,0,1,0,0|1,0,0]=2 101 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 SBB059731 [0,0,0,1,0,0|1,1,0]=3 102 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 SBB003556 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.3 N1CCCCC1C2=CC=CN=C2 SBB000142 [0,0,0,1,0,0|2,0,0]=3 104 B13R2.3 N1CCN(C2=CC=CC=C2)CC1 SBB003943 [0,0,0,1,0,0|3,0,0]=4 105 B13R2.15 CN1CCC[C@H]1C2=CN=CC=C2 SBB012359 [0,0,0,1,0,0|3,0,0]=4 106 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 SBB000360 [0,0,0,1,0,0|2,0,1]=4 107 B13R2.64 N1CCN=C1CC2=CC=CC=C2 SBB003964 [0,0,0,1,0,0|2,0,1]=4 108 B13R2.1613 NCC1NCCC2=C1C=CC=C2 SBB001529 [0,0,0,1,0,0|2,0,0]=3 109 B13R2.1613 NCC1OCCC2=CC=CC=C21 SBB050938 [0,0,0,1,0,0|2,0,0]=3 110 B13R2.1613 OCC1OCCC2=CC=CC=C21 SBB014270 [0,0,0,1,0,0|1,0,0]=2 111 B13R2.1613 O\N=C1/CCCC2=C1C=CC=C2 SBB030485 [0,0,0,1,0,0|1,0,1]=3 112 B13R2.2382 C1=CC(CCNC2CC2)=CC=N1 SBB302907 [0,0,0,1,0,0|3,0,0]=4 113 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 SBB010434 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 SBB060420 [0,0,0,1,0,0|1,0,0]=2 115 B10R0.71 CCCCC\C=C\C=C\C=O SBB066368 [1,0,1,0,0,0|1,0,0]=3 116 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|0,0,2]=4 120 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [2,0,0,0,0,0|0,0,2]=4 121 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.17 CCNCC1=CC=NC=C1 SBB058813 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [2,0,0,0,0,0|1,0,0]=3 126 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [2,0,0,0,0,0|1,0,0]=3 130 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [2,0,0,0,0,0|1,0,0]=3 133 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.17 OCC#CC1=CC=CC=C1 SBB015103 [2,0,0,0,0,0|0,0,2]=4 138 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [2,0,0,0,0,0|0,0,0]=2 139 B10R1.17 OCCCC1=CC=NC=C1 SBB072686 [2,0,0,0,0,0|1,0,0]=3 140 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [2,0,0,0,0,0|1,0,0]=3 141 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [2,0,0,0,0,0|0,0,2]=4 142 B12R1.1 CC1=CC=C(OCCCN)C=C1 SBB085497 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [1,1,0,0,0,0|0,0,0]=2 144 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [1,1,0,0,0,0|0,0,0]=2 145 B12R1.1 CCCCCC1=CN=C(Cl)N=C1 SBB059369 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.1 CCCCOC1=CC=C(Br)C=C1 SBB008359 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.1 CCCCOC1=CC=C(C)C=C1 SBB008351 [1,1,0,0,0,0|1,0,0]=3 148 B12R1.1 CCCCOC1=CC=C(Cl)C=C1 SBB061312 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.1 CCCCOC1=CC=C(N)C=C1 SBB008295 [1,1,0,0,0,0|1,0,0]=3 150 B12R1.1 CCCCOC1=CC=C(O)C=C1 SBB058865 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.1 CCCCSC1=CC=C(N)C=C1 SBB072787 [1,1,0,0,0,0|1,0,0]=3 152 B12R1.1 CCNCCC1=CC=C(C)C=C1 SBB052427 [1,1,0,0,0,0|1,0,0]=3 153 B12R1.1 CNCCOC1=CC=C(C)C=C1 SBB010460 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.1 CNCCOC1=CC=C(F)C=C1 SBB085381 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 SBB018282 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.1 FC1=CC=C(OCCCCl)C=C1 SBB003674 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 SBB010729 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 SBB071568 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.1 OCCNCC1=CC=C(F)C=C1 SBB080484 [1,1,0,0,0,0|1,0,0]=3 160 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [1,1,0,0,0,0|1,0,0]=3 161 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.27 CCC(O)C#CC1=CC=CC=C1 SBB008984 [1,1,0,0,0,0|0,0,2]=4 163 B12R1.27 OC(CCl)COC1=CC=CC=C1 SBB061224 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.27 OC(COC1=CC=CC=C1)CN SBB010049 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 SBB088177 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.28 CC1=CC(OCCCN)=CC=C1 SBB085451 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.28 CCCCCC1=CC=CC(=O)O1 SBB008445 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.28 OCCNCC1=CC=CC(Cl)=C1 SBB111087 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [1,1,0,0,0,0|0,0,1]=3 170 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [1,1,0,0,0,0|0,0,0]=2 171 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.30 CN(CCCN)C1=CC=CC=C1 SBB051731 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.30 OCCN[C@H](C)C1=CC=CC=C1 SBB010055 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [1,1,0,0,0,0|0,0,0]=2 183 B12R1.252 FC(F)CNCC1=CC=CC=C1 SBB046667 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [1,1,0,0,0,0|0,0,2]=4 185 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [1,1,0,0,0,0|0,0,2]=4 186 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [1,1,0,0,0,0|0,0,1]=3 187 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SBB014669 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [1,1,0,0,0,0|1,0,1]=4 191 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.267 CCCCOC1=C(N)C=CC=C1 SBB001578 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.267 CNCCOC1=C(C)C=CC=C1 SBB080543 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.267 CNCCOC1=C(F)C=CC=C1 SBB085380 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.267 COCCOC1=C(N)C=CC=C1 SBB085487 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.267 FC1=C(OCCCBr)C=CC=C1 SBB302486 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.267 NCCCOC1=C(F)C=CC=C1 SBB085447 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.267 NCCOCC1=CC=CC=C1Cl SBB005406 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.267 NCCSCC1=C(F)C=CC=C1 SBB010724 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.267 NCCSCC1=CC=CC=C1Cl SBB076799 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 SBB010731 [1,1,0,0,0,0|1,0,0]=3 205 B12R1.255 CC(N)CCCCC1=CC=CO1 SBB017103 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.372 CC1=C(CNCCCO)SC=C1 SBB017990 [0,1,0,0,1,0|2,0,0]=4 207 B14R1.26 CCCCCCOC1=CC=CC(Br)=C1 SBB059698 [0,2,0,0,0,0|1,0,0]=3 208 B14R1.26 CCCCCCOC1=CC=CC(N)=C1 SBB001579 [0,2,0,0,0,0|1,0,0]=3 209 B14R1.148 CC1=CC=CC(OCCCC(=O)O)=C1 SBB024155 [0,2,0,0,0,0|1,0,1]=4 210 B14R1.148 O=C(O)CCCOC1=CC(F)=CC=C1 SBB010970 [0,2,0,0,0,0|1,0,1]=4 211 B14R1.228 COC1=CC=CC(NCCCCO)=C1 SBB010929 [0,2,0,0,0,0|1,0,0]=3 212 B14R1.232 CC1=C(C)C=C(NCCCCO)C=C1 SBB000318 [0,2,0,0,0,0|1,0,0]=3 213 B14R1.14 CCCCCCCC1=CC=C(N)C=C1 SBB008309 [0,2,0,0,0,0|1,0,0]=3 214 B14R1.14 CCCCCCCC1=CC=C(O)C=C1 SBB059156 [0,2,0,0,0,0|1,0,0]=3 215 B14R1.14 CCCCCCOC1=CC=C(Br)C=C1 SBB008641 [0,2,0,0,0,0|1,0,0]=3 216 B14R1.14 CCCCCCOC1=CC=C(N)C=C1 SBB007956 [0,2,0,0,0,0|1,0,0]=3 217 B14R1.14 CCCCCCOC1=CC=C(O)C=C1 SBB059152 [0,2,0,0,0,0|1,0,0]=3 218 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 SBB056545 [0,2,0,0,0,0|1,0,1]=4 219 B14R1.677 CC1=CC=C(OCCCC(=O)O)C=C1 SBB015616 [0,2,0,0,0,0|1,0,1]=4 220 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 SBB016923 [0,2,0,0,0,0|0,0,1]=3 221 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 SBB037869 [0,2,0,0,0,0|0,0,1]=3 222 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 SBB008253 [0,2,0,0,0,0|1,0,1]=4 223 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 SBB111688 [0,2,0,0,0,0|1,0,1]=4 224 B14R1.774 CC1=CC(C)=C(NCCCCO)C=C1 SBB010897 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.774 CCCCCCC1=C(O)C=C(O)C=C1 SBB056777 [0,2,0,0,0,0|1,0,0]=3 226 B14R1.776 C(=O)C1=CC=C(OCCCCC)C=C1 SBB008032 [0,2,0,0,0,0|2,0,0]=4 227 B14R1.776 CCCCCCC1=CC=C(C#N)C=C1 SBB059148 [0,2,0,0,0,0|1,0,0]=3 228 B14R1.776 CCCCCCC1=CC=C(C=O)C=C1 SBB059138 [0,2,0,0,0,0|1,0,0]=3 229 B14R1.776 CCCCCCC1=CC=C(CN)C=C1 SBB059619 [0,2,0,0,0,0|1,0,0]=3 230 B14R1.776 CCCCCOC1=CC=C(C#N)C=C1 SBB059142 [0,2,0,0,0,0|2,0,0]=4 231 B14R1.38 CCCCCCC(=O)C1=CC=CC=C1 SBB064863 [0,2,0,0,0,0|1,0,0]=3 232 B14R1.38 CCCCCCC(C)C1=CC=CC=C1 SBB060400 [0,2,0,0,0,0|1,0,0]=3 233 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 SBB116861 [0,2,0,0,0,0|1,0,1]=4 234 B14R1.38 COCCCNC(C)C1=CC=CC=N1 SBB301406 [0,2,0,0,0,0|2,0,0]=4 235 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 SBB006654 [0,2,0,0,0,0|1,0,1]=4 236 B14R1.38 [C@H](C)(NCCCNC)C1=CC=CC=C1 SBB005545 [0,2,0,0,0,0|2,0,0]=4 237 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SBB007811 [0,2,0,0,0,0|0,0,2]=4 238 B14R1.123 C=COCCNCCC1=CC=NC=C1 SBB027801 [0,2,0,0,0,0|2,0,0]=4 239 B14R1.123 OCCCCCCCC1=CC=CC=C1 SBB072190 [0,2,0,0,0,0|0,0,0]=2 240 B14R1.156 CCOCC(O)CNC1=CC=CC=C1 SBB300855 [0,2,0,0,0,0|2,0,0]=4 241 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 SBB057706 [0,2,0,0,0,0|1,0,1]=4 242 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 SBB060334 [0,2,0,0,0,0|1,0,1]=4 243 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 SBB080698 [0,2,0,0,0,0|0,0,2]=4 244 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 SBB071719 [0,2,0,0,0,0|0,0,0]=2 245 B14R1.422 O=C(O)CCSCCC1=CC=NC=C1 SBB048658 [0,2,0,0,0,0|1,0,1]=4 246 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 SBB056594 [0,2,0,0,0,0|1,0,1]=4 247 B14R1.520 CNCC(O)COCC1=CC=CC=C1 SBB010931 [0,2,0,0,0,0|2,0,0]=4 248 B14R1.716 NCC(O)CNCCC1=CC=CC=C1 SBB300016 [0,2,0,0,0,0|1,0,0]=3 249 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 SBB037901 [0,2,0,0,0,0|1,0,1]=4 250 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 SBB064266 [0,2,0,0,0,0|1,0,1]=4 251 B14R1.467 CCN(CCCN)CC1=CC=CC=C1 SBB010879 [0,2,0,0,0,0|2,0,0]=4 252 B14R1.159 CC1=C(OCCCC(=O)O)C=CC=C1 SBB015479 [0,2,0,0,0,0|1,0,1]=4 253 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F SBB027242 [0,2,0,0,0,0|1,0,1]=4 254 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O SBB064584 [0,2,0,0,0,0|0,0,1]=3 255 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O SBB071425 [0,2,0,0,0,0|1,0,1]=4 256 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O SBB007644 [0,2,0,0,0,0|1,0,1]=4 257 B12R2.2 C1=CC(N2CCCC2)=CC=N1 SBB004083 [1,0,0,1,0,0|2,0,0]=4 258 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [1,0,0,1,0,0|0,0,0]=2 259 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [1,0,0,1,0,0|1,0,0]=3 260 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [1,0,0,1,0,0|1,0,0]=3 261 B12R2.2 C1=CC=C(C2NCCS2)C=C1 SBB087945 [1,0,0,1,0,0|1,1,0]=4 262 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [1,0,0,1,0,0|1,0,0]=3 263 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [1,0,0,1,0,0|1,0,0]=3 264 B12R2.2 C1=CN=C(C2CCCN2)C=C1 SBB050916 [1,0,0,1,0,0|2,0,0]=4 265 B12R2.27 OCC1CC1C2=CC=CC=C2 SBB084422 [1,0,0,1,0,0|0,0,0]=2 266 B12R2.41 C1=CC2=C(C=C1)CCNCC2 SBB086557 [1,0,0,1,0,0|1,0,0]=3 267 B12R2.41 C1=CC2=C(C=C1)OCCCO2 SBB016570 [1,0,0,1,0,0|1,0,0]=3 268 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [1,0,0,1,0,0|1,0,0]=3 269 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [1,0,0,1,0,0|1,0,0]=3 270 B12R2.1081 NC1CCOC2=CC=CC=C21 SBB042737 [1,0,0,1,0,0|2,0,0]=4 271 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SBB066987 [1,0,0,1,0,0|0,0,2]=4 272 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [1,0,0,1,0,0|0,0,0]=2 273 B12R2.1081 O[C@H]1CCOC2=CC=CC=C21 SBB086707 [1,0,0,1,0,0|1,0,0]=3 274 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 SBB085367 [1,0,0,1,0,0|2,0,0]=4 275 B12R2.2057 C1=CC(CNC2CC2)=CN=C1 SBB085360 [1,0,0,1,0,0|2,0,0]=4 276 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SBB060525 [1,0,0,1,0,0|1,0,0]=3 277 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 SBB046556 [1,0,0,1,0,0|2,0,0]=4 278 B14R2.21 CC1CCOC(C2=CC=CC=C2)O1 SBB061029 [0,1,0,1,0,0|1,0,0]=3 279 B14R2.21 CN1CCNC(C2=CC=CC=C2)C1 SBB048041 [0,1,0,1,0,0|2,0,0]=4 280 B14R2.21 NC1=CC=CC(C2OCCCO2)=C1 SBB005405 [0,1,0,1,0,0|1,0,0]=3 281 B14R2.21 NC1=CC=CC(N2CCCCC2)=C1 SBB089198 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.21 OC1=CC=CC(C2OCCCO2)=C1 SBB000216 [0,1,0,1,0,0|1,0,0]=3 283 B14R2.716 NC1=CC(CN2CCCC2)=CC=C1 SBB010600 [0,1,0,1,0,0|2,0,0]=4 284 B14R2.716 NC1=CC(OC2CCCC2)=CC=C1 SBB085417 [0,1,0,1,0,0|2,0,0]=4 285 B14R2.68 BrC1=CC=C(N2CCCCC2)C=C1 SBB099228 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.68 FC1=CC=C(C2CCNCC2)C=C1 SBB047919 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.68 NC1=CC=C(C2CCCCC2)C=C1 SBB028378 [0,1,0,1,0,0|1,0,0]=3 288 B14R2.68 NC1=CC=C(N2CCCCC2)C=C1 SBB010087 [0,1,0,1,0,0|2,0,0]=4 289 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 SBB046720 [0,1,0,1,0,0|1,0,0]=3 290 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 SBB008578 [0,1,0,1,0,0|1,0,1]=4 291 B14R2.68 OC1=CC=C(C2CCCCC2)C=C1 SBB059337 [0,1,0,1,0,0|1,0,0]=3 292 B14R2.68 OC1=CC=C(C2CNCCN2)C=C1 SBB089443 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.68 OC1=CC=C(C2OCCCO2)C=C1 SBB071528 [0,1,0,1,0,0|1,0,0]=3 294 B14R2.68 OC1=CC=C(C2SCCCS2)C=C1 SBB002383 [0,1,0,1,0,0|1,1,0]=4 295 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 SBB008579 [0,1,0,1,0,0|1,0,0]=3 296 B14R2.72 BrC1=CC=C(CN2CCCC2)C=C1 SBB109904 [0,1,0,1,0,0|2,0,0]=4 297 B14R2.72 NC1=CC=C(CN2CCCC2)C=C1 SBB010602 [0,1,0,1,0,0|2,0,0]=4 298 B14R2.72 NC1=CC=C(OC2CCCC2)C=C1 SBB010614 [0,1,0,1,0,0|2,0,0]=4 299 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 SBB007885 [0,1,0,1,0,0|1,0,1]=4 300 B14R2.5540 NC1(C2=CC=CC=C2)CCOCC1 SBB302785 [0,1,0,1,0,0|2,0,0]=4 301 B14R2.5540 OC1(C2=CC=CC=C2)CCNCC1 SBB056103 [0,1,0,1,0,0|2,0,0]=4 302 B14R2.3 NCCCN1CCC2=C1C=CC=C2 SBB010601 [0,1,0,1,0,0|1,0,0]=3 303 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 SBB010587 [0,1,0,1,0,0|1,0,0]=3 304 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 SBB010586 [0,1,0,1,0,0|1,0,0]=3 305 B14R2.6 C1=CC=C(NC2CCCCC2)C=C1 SBB072661 [0,1,0,1,0,0|1,0,0]=3 306 B14R2.6 N1CCC(CC2=CC=CC=C2)CC1 SBB027306 [0,1,0,1,0,0|1,0,0]=3 307 B14R2.24 Br[C@H]1CCCCC1[N+]2=CC=CC=C2 SBB057385 [0,1,0,1,0,0|2,0,0]=4 308 B14R2.24 CC1=C(C2CCNCC2)C=CC=C1 SBB056099 [0,1,0,1,0,0|2,0,0]=4 309 B14R2.24 CC1CNCCN1C2=CC=CC=C2 SBB056128 [0,1,0,1,0,0|2,0,0]=4 310 B14R2.24 Cl[C@H]1CCCCC1[N+]2=CC=CC=C2 SBB057121 [0,1,0,1,0,0|2,0,0]=4 311 B14R2.24 NC1=C(N2CCCCC2)C=CC=C1 SBB003777 [0,1,0,1,0,0|2,0,0]=4 312 B14R2.24 OC1=C(C2CCNCC2)C=CC=C1 SBB014898 [0,1,0,1,0,0|2,0,0]=4 313 B14R2.24 OC1=C(N2CCCCC2)C=CC=C1 SBB116888 [0,1,0,1,0,0|2,0,0]=4 314 B14R2.24 OC1=CC=CC=C1C2CCCCC2 SBB059470 [0,1,0,1,0,0|1,0,0]=3 315 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 SBB026855 [0,1,0,1,0,0|0,0,2]=4 316 B14R2.101 C1=CC(CCN2CCCC2)=CC=N1 SBB089201 [0,1,0,1,0,0|2,0,0]=4 317 B14R2.101 C1=CC(CNC2CCCC2)=CC=N1 SBB017979 [0,1,0,1,0,0|2,0,0]=4 318 B14R2.101 C1=CC=C(CNC2CCCC2)N=C1 SBB301334 [0,1,0,1,0,0|2,0,0]=4 319 B14R2.101 C1=CN=CC(CNC2CCCC2)=C1 SBB010599 [0,1,0,1,0,0|2,0,0]=4 320 B14R2.3019 C1=CC=C(CNCC2CCC2)C=C1 SBB080025 [0,1,0,1,0,0|1,0,0]=3 321 B14R2.7150 CNCC1OCCC2=C1C=CC=C2 SBB010615 [0,1,0,1,0,0|2,0,0]=4 322 B14R2.112 NCCC1COC2=CC=CC=C2O1 SBB079749 [0,1,0,1,0,0|2,0,0]=4 323 B14R2.19 NC1CCN(CC2=CC=CC=C2)C1 SBB052023 [0,1,0,1,0,0|2,0,0]=4 324 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 SBB028380 [0,1,0,1,0,0|2,0,0]=4 325 B14R2.67 CCNCC1CC2=C(C=CC=C2)O1 SBB002496 [0,1,0,1,0,0|2,0,0]=4 326 B14R2.67 OCCCC1=NC2=C(C=CC=C2)N1 SBB019229 [0,1,0,1,0,0|1,0,1]=4 327 B14R2.517 O=C1NC2=C(C=CC=C2)C1CCO SBB018982 [0,1,0,1,0,0|1,0,1]=4 328 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 SBB065730 [0,1,0,1,0,0|0,0,1]=3 329 B14R2.31359 O=C(O)C1CCNC2=CC=CC=C21 SBB053292 [0,1,0,1,0,0|1,0,1]=4 330 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 SBB000197 [0,1,0,1,0,0|1,0,1]=4 331 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 SBB003410 [0,1,0,1,0,0|1,0,1]=4 332 B14R2.50 NC1=CC=CC=C1CN2CCCC2 SBB302654 [0,1,0,1,0,0|2,0,0]=4 333 B14R2.50 NC1=CC=CC=C1OC2CCCC2 SBB010617 [0,1,0,1,0,0|2,0,0]=4 334 B14R3.164 C1=CC2=C3C(=C1)CCC3CCC2 SBB061704 [0,0,0,2,0,0|1,0,0]=3 335 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [1,0,0,0,1,0|2,0,0]=4 336 B10R1.21 OCCNCC1=CC=CO1 SBB017330 [1,0,0,0,1,0|2,0,0]=4 337 B10R1.21 OCCNCC1=CC=CS1 SBB017943 [1,0,0,0,1,0|2,0,0]=4